Heptanamide, N-(4-((3,5-dimethylphenyl)thio)-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl)-

HCID 464597

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Basic information

CAS: 172470-01-8
Standard SMILES: CCCCCCC(=O)Nc1c(Sc2cc(C)cc(C)c2)c(C)c[nH]c1=O
InChIKey: ATELNWKCCCUOGM-UHFFFAOYSA-N
Molecular formula: C21H28N2O2S
Average molar mass: 372.5 g/mol
Monoisotopic mass: 372.18714931

Names & identifiers

Preferred name: Heptanamide, N-(4-((3,5-dimethylphenyl)thio)-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl)-
IUPAC: N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]heptanamide

Names & synonyms

172470-01-8Heptanamide, N-(4-((3,5-dimethylphenyl)thio)-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl)-Heptanamide, N-[4-[(3,5-dimethylphenyl)thio]-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl]-CHEMBL139995SCHEMBL7007509DTXSID10169314ATELNWKCCCUOGM-UHFFFAOYSA-NN-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]heptanamideN-{4-[(3,5-dimethylphenyl)sulfanyl]-5-methyl-2-oxo-1,2-dihydropyridin-3-yl}heptanamide3-(HepCONH)-2-Pyridinone, PhS deriv.3-heptanamido-5-methyl-4-(3', 5'-dimethylphenyl)thio-pyridin-2(1H)-one

Database identifiers

CAS: 172470-01-8
PubChem CID: 464597
DTXSID: DTXSID10169314
ChEMBL: CHEMBL139995
Nikkaji: J713.241G

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 573

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