2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C17H18ClNO2S — CID 26882671

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-12(15-5-3-4-6-16(15)21-2)19-17(20)11-22-14-9-7-13(18)8-10-14/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyOQRVBGTWWXZPOV-LBPRGKRZSA-N
MW335.86 g/mol
LogP4.32
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 26882671) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID26882671
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-12(15-5-3-4-6-16(15)21-2)19-17(20)11-22-14-9-7-13(18)8-10-14/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyOQRVBGTWWXZPOV-LBPRGKRZSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670
3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 26618385
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 166198972
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7737211
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
methyl 3-(2-chlorophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanoate
CID 55440619
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
CID 47010932
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 26882671) is 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is OQRVBGTWWXZPOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-12(15-5-3-4-6-16(15)21-2)19-17(20)11-22-14-9-7-13(18)8-10-14/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 335.86 g/mol, XLogP of 4.32, 6 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-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 26882671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).