4-[(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)sulfamoyl]benzenecarboximidamide (CED0278787)

Record Information
Version1.0
Creation Date2026-08-30 08:01:25 UTC
Update Date2026-08-30 08:01:25 UTC
Accession NumberCHEM324085
Identification
Common Name4-[(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)sulfamoyl]benzenecarboximidamide
ClassSmall Molecule
Description
4-[(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)sulfamoyl]benzenecarboximidamide is a chemical compound with the formula C21H26N4O3S. It has an average molecular weight of 414.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H26N4O3S
Average Molecular MassNot Available
Monoisotopic Mass414.173 g/mol
CAS Registry Number92953-62-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=N)N
InChI IdentifierInChI=1S/C21H26N4O3S/c22-20(23)17-9-11-18(12-10-17)29(27,28)24-19(15-16-7-3-1-4-8-16)21(26)25-13-5-2-6-14-25/h1,3-4,7-12,19,24H,2,5-6,13-15H2,(H3,22,23)
InChI KeyNQQVPEXSXMYDLT-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2111.0Log mg/kg[1200:3800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureProthrombinP00735Bos taurusPredicted (SEA)1.01204
Click to view 3D structureTrypsin IIQ29463Bos taurusPredicted (SEA)1.24559
Click to view 3D structureSerine protease 1P00760Bos taurusPredicted (SEA)1.94623
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)5.13805
Serine protease hepsin structureClick to view 3D structureSerine protease hepsinP05981HumansPredicted (SEA)1.24559
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)11.9888
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)2.72472
Suppressor of tumorigenicity 14 protein structureClick to view 3D structureSuppressor of tumorigenicity 14 proteinQ9Y5Y6HumansPredicted (SEA)5.60514
Click to view 3D structureCoagulation factor XP00743Bos taurusPredicted (SEA)1.71268
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)16.7376
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)17.7496
Serine protease 1 structureClick to view 3D structureSerine protease 1P07477HumansPredicted (SEA)8.87481
Click to view 3D structureTransmembrane protease serine 6Q8IU80HumansPredicted (SEA)2.95827
Promotilin structureClick to view 3D structurePromotilinP12872HumansPredicted (SEA)0.311397
Tissue-type plasminogen activator structureClick to view 3D structureTissue-type plasminogen activatorP00750HumansPredicted (SEA)12.0666
Click to view 3D structureTransmembrane protease serine 11DO60235HumansPredicted (SEA)4.43741
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)74.346
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)89.2931
Transmembrane protease serine 2 structureClick to view 3D structureTransmembrane protease serine 2O15393HumansPredicted (SEA)12.4559
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)203.887
Vitamin K-dependent protein C structureClick to view 3D structureVitamin K-dependent protein CP04070HumansPredicted (SEA)10.5875
Coagulation factor XI structureClick to view 3D structureCoagulation factor XIP03951HumansPredicted (SEA)48.1887
Click to view 3D structureSerine protease 1P00762Rattus norvegicusPredicted (SEA)3.19182
Click to view 3D structureUrokinase plasminogen activator surface receptorP49616Rattus norvegicusPredicted (SEA)3.19182
Coagulation factor XII structureClick to view 3D structureCoagulation factor XIIP00748HumansPredicted (SEA)53.3267
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available