2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide

C16H13ClN2OS — CID 7603938

IUPAC2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2OS/c17-13-3-7-15(8-4-13)21-11-16(20)19-14-5-1-12(2-6-14)9-10-18/h1-8H,9,11H2,(H,19,20)
InChIKeyMWICKFOMSAXLHM-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.14
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 7603938) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID7603938
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2OS/c17-13-3-7-15(8-4-13)21-11-16(20)19-14-5-1-12(2-6-14)9-10-18/h1-8H,9,11H2,(H,19,20)
InChIKeyMWICKFOMSAXLHM-UHFFFAOYSA-N
XLogP4.14
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-[4-(cyanomethyl)phenyl]-3-phenylsulfanylpropanamide
CID 1279971
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 51319532
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9043932
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylacetate
CID 6930186
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682889
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide (CID 7603938) is 2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide is N#CCc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is MWICKFOMSAXLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c17-13-3-7-15(8-4-13)21-11-16(20)19-14-5-1-12(2-6-14)9-10-18/h1-8H,9,11H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 316.81 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 7603938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).