(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide

C16H15Cl2NOS — CID 92674766

IUPAC(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-2-15(21-14-8-6-11(17)7-9-14)16(20)19-13-5-3-4-12(18)10-13/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyJBQHURRARKLFMU-HNNXBMFYSA-N
MW340.28 g/mol
LogP5.50
Rot. Bonds5

About (2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide

(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide (PubChem CID 92674766) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
PubChem CID92674766
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-2-15(21-14-8-6-11(17)7-9-14)16(20)19-13-5-3-4-12(18)10-13/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyJBQHURRARKLFMU-HNNXBMFYSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
ethyl 3-[[(2R)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzoate
CID 99954695
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
N-[3-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907417
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
CID 132761064
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 28631688
N-(4-chlorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905978
N-[3-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903385
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
CID 92673326
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide
CID 18901086
2-[[3-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895694

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide (CID 92674766) is (2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide is CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
The InChIKey is JBQHURRARKLFMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-2-15(21-14-8-6-11(17)7-9-14)16(20)19-13-5-3-4-12(18)10-13/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide has a molecular weight of 340.28 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide is sourced from PubChem (CID 92674766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).