2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide

C16H14ClNO2S — CID 100753352

IUPAC2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide
SMILESCC(=O)c1ccccc1SCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2S/c1-11(19)14-4-2-3-5-15(14)21-10-16(20)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyBDDCQFJVUFBKCF-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.27
Rot. Bonds5

About 2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide

2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide (PubChem CID 100753352) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide
PubChem CID100753352
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC Name2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide
SMILESCC(=O)c1ccccc1SCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2S/c1-11(19)14-4-2-3-5-15(14)21-10-16(20)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyBDDCQFJVUFBKCF-UHFFFAOYSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylbenzoate
CID 7301278
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
5-[[2-(2-carboxyphenyl)sulfanylacetyl]amino]-2-chlorobenzoic acid
CID 5303183
N-[1-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55334838
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 17497756
N-(3-chlorophenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26086320
N-(2,3-dichlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345939
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide
CID 112845760
N-(2-fluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 78777754
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 47158205

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide (CID 100753352) is 2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide is CC(=O)c1ccccc1SCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide?
The InChIKey is BDDCQFJVUFBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c1-11(19)14-4-2-3-5-15(14)21-10-16(20)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide?
2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide has a molecular weight of 319.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 100753352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).