N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide

C17H16ClNO2S — CID 8580172

IUPACN-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2S/c1-12(20)15-4-2-3-5-16(15)19-17(21)11-22-10-13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeySEVGAWFBGCARKG-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.41
Rot. Bonds6

About N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide

N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 8580172) has the molecular formula C17H16ClNO2S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
PubChem CID8580172
Molecular FormulaC17H16ClNO2S
Molecular Weight333.84 g/mol
Exact Mass333.06
IUPAC NameN-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2S/c1-12(20)15-4-2-3-5-16(15)19-17(21)11-22-10-13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeySEVGAWFBGCARKG-UHFFFAOYSA-N
XLogP4.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4153660
5-acetyloxy-2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 5058724
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate
CID 8604583
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 1265415
2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 84554828
3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid
CID 43357960

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide (CID 8580172) is N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide is CC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1.
What is the InChIKey of N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is SEVGAWFBGCARKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S/c1-12(20)15-4-2-3-5-16(15)19-17(21)11-22-10-13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 333.84 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8580172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).