Acetamide, N-(4-((3,5-dimethylphenyl)thio)-5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)

HCID 464600

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Basic information

CAS: 172470-03-0
Standard SMILES: CCc1c(C)[nH]c(=O)c(NC(C)=O)c1Sc1cc(C)cc(C)c1
InChIKey: TWMZTGJRWGLGHC-UHFFFAOYSA-N
Molecular formula: C18H22N2O2S
Average molar mass: 330.4 g/mol
Monoisotopic mass: 330.14019912

Names & identifiers

Preferred name: Acetamide, N-(4-((3,5-dimethylphenyl)thio)-5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)
IUPAC: N-[4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]acetamide

Names & synonyms

172470-03-0Acetamide, N-(4-((3,5-dimethylphenyl)thio)-5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)DTXSID30169316Acetamide, N-[4-[(3,5-dimethylphenyl)thio]-5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl]RefChem:1075354DTXCID00918073-Acetamido-5-ethyl-6-methyl-4-((3',5'-dimethylphenyl)thio)pyridin-2(1H)-one3-Acetamido-5-ethyl-6-methyl-4-[(3',5'-dimethylphenyl)thio]pyridin-2(1H)-oneCHEMBL128450SCHEMBL7007080N-[4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]acetamideN-{4-[(3,5-dimethylphenyl)sulfanyl]-5-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}acetamide

Database identifiers

CAS: 172470-03-0
PubChem CID: 464600
DTXSID: DTXSID30169316
ChEMBL: CHEMBL128450
Nikkaji: J713.238G

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 555

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