<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-30 08:42:17 UTC</creation_date>
  <update_date>2026-08-30 08:42:17 UTC</update_date>
  <accession/>
  <common_name>N-(4-propan-2-ylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide</common_name>
  <class>SmallMolecule</class>
  <description>N-(4-propan-2-ylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is a chemical compound with the formula C21H28N4OS. It has an average molecular weight of 384.50 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C21H28N4OS</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>384.1983827</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>104373-77-5</cas_registry_number>
  <smiles>CC(C)SC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3</smiles>
  <inchi>InChI=1S/C21H28N4OS/c1-17(2)27-19-8-6-18(7-9-19)23-21(26)10-12-24-13-15-25(16-14-24)20-5-3-4-11-22-20/h3-9,11,17H,10,12-16H2,1-2H3,(H,23,26)</inchi>
  <inchikey>NLRDBSFWXSZYJL-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>384.1983827</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)SC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C21H28N4OS</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C21H28N4OS/c1-17(2)27-19-8-6-18(7-9-19)23-21(26)10-12-24-13-15-25(16-14-24)20-5-3-4-11-22-20/h3-9,11,17H,10,12-16H2,1-2H3,(H,23,26)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NLRDBSFWXSZYJL-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>11971557</pubchem_compound_id>
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  <biocyc_id/>
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  <wikipidia/>
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