2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide

C18H19N3O3S — CID 613984

IUPAC2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-10-8-11(2)20-18(16(10)17(19)24)25-9-15(23)21-14-6-4-13(5-7-14)12(3)22/h4-8H,9H2,1-3H3,(H2,19,24)(H,21,23)
InChIKeyGVHRWZDQEOFUJU-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.73
Rot. Bonds6

About 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide

2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide (PubChem CID 613984) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide
PubChem CID613984
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-10-8-11(2)20-18(16(10)17(19)24)25-9-15(23)21-14-6-4-13(5-7-14)12(3)22/h4-8H,9H2,1-3H3,(H2,19,24)(H,21,23)
InChIKeyGVHRWZDQEOFUJU-UHFFFAOYSA-N
XLogP2.73
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide
CID 717110
4,6-Dimethyl-2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]thio}nicotinonitrile
CID 135472805
3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 734382
2-[2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetylamino]-benzamide
CID 655086
3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 983945
N-(4-Acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1078530
N-{4-[2-(3-Ethyl-7-methyl-quinolin-2-ylsulfanyl)-acetyl]-phenyl}-acetamide
CID 1440469
3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 2241259
N-{4-[2-(3-Ethyl-8-methyl-quinolin-2-ylsulfanyl)-acetyl]-phenyl}-acetamide
CID 3207980
2-({2-[(4-bromo-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 16014789
4,6-Dimethyl-N-(3-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carboxamide
CID 16014814
N-(4-ethylphenyl)-2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 16026979

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide (CID 613984) is 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1.
What is the InChIKey of 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is GVHRWZDQEOFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-10-8-11(2)20-18(16(10)17(19)24)25-9-15(23)21-14-6-4-13(5-7-14)12(3)22/h4-8H,9H2,1-3H3,(H2,19,24)(H,21,23).
What are the key properties of 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 613984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).