(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide

C17H17Cl2NOS — CID 38020183

IUPAC(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H17Cl2NOS/c1-3-16(22-14-7-4-12(18)5-8-14)17(21)20-15-9-6-13(19)10-11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyVNYDABOUQXJHPA-MRXNPFEDSA-N
MW354.30 g/mol
LogP5.81
Rot. Bonds5

About (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide

(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide (PubChem CID 38020183) has the molecular formula C17H17Cl2NOS and a molecular weight of 354.30 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
PubChem CID38020183
Molecular FormulaC17H17Cl2NOS
Molecular Weight354.30 g/mol
Exact Mass353.04
IUPAC Name(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H17Cl2NOS/c1-3-16(22-14-7-4-12(18)5-8-14)17(21)20-15-9-6-13(19)10-11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyVNYDABOUQXJHPA-MRXNPFEDSA-N
XLogP5.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.30
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[(2R)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]-3-methylbenzoate
CID 38004372
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
CID 92673326
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)butanamide
CID 92684483
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide
CID 18901086
2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 43876067
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
CID 30390941
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
CID 132761064
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
The IUPAC name of (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide (CID 38020183) is (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
The canonical SMILES for (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
The InChIKey is VNYDABOUQXJHPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17Cl2NOS/c1-3-16(22-14-7-4-12(18)5-8-14)17(21)20-15-9-6-13(19)10-11(15)2/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide has a molecular weight of 354.30 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide is sourced from PubChem (CID 38020183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).