2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide

C14H13ClN2O2S — CID 75416497

IUPAC2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
SMILESCn1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H13ClN2O2S/c1-17-8-11(4-7-14(17)19)16-13(18)9-20-12-5-2-10(15)3-6-12/h2-8H,9H2,1H3,(H,16,18)
InChIKeyXKVCNBYRHIFPFI-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.77
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide (PubChem CID 75416497) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
PubChem CID75416497
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
SMILESCn1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H13ClN2O2S/c1-17-8-11(4-7-14(17)19)16-13(18)9-20-12-5-2-10(15)3-6-12/h2-8H,9H2,1H3,(H,16,18)
InChIKeyXKVCNBYRHIFPFI-UHFFFAOYSA-N
XLogP2.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 1026425
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 18192837
2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28686635
2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 7603938
N-(1-methyl-6-oxo-3-pyridinyl)-3,3-diphenylpropanamide
CID 75461898

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide (CID 75416497) is 2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide is Cn1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The InChIKey is XKVCNBYRHIFPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-17-8-11(4-7-14(17)19)16-13(18)9-20-12-5-2-10(15)3-6-12/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide has a molecular weight of 308.79 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 75416497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).