Structure

InChI Key BOVGTQGAOIONJV-UHFFFAOYSA-N
Smile Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1
InChI
InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21N3O3S
Molecular Weight 323.42
AlogP 1.63
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 78.51
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Epilepsy 1 D004827 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 21187-98-4
ChEBI 31654
ChEMBL CHEMBL427216
DrugCentral 1299
EPA CompTox DTXSID9023095
FDA SRS G4PX8C4HKV
Human Metabolome Database HMDB0015252
PharmGKB PA10892
PubChem 667431
SureChEMBL SCHEMBL16387