(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide

C17H17Cl2NO2S — CID 28631688

IUPAC(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO2S/c1-3-16(23-13-7-4-11(18)5-8-13)17(21)20-12-6-9-15(22-2)14(19)10-12/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyRQNUKOMSDPPWSQ-MRXNPFEDSA-N
MW370.30 g/mol
LogP5.51
Rot. Bonds6

About (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide

(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide (PubChem CID 28631688) has the molecular formula C17H17Cl2NO2S and a molecular weight of 370.30 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
PubChem CID28631688
Molecular FormulaC17H17Cl2NO2S
Molecular Weight370.30 g/mol
Exact Mass369.04
IUPAC Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO2S/c1-3-16(23-13-7-4-11(18)5-8-13)17(21)20-12-6-9-15(22-2)14(19)10-12/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyRQNUKOMSDPPWSQ-MRXNPFEDSA-N
XLogP5.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.30
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
CID 30390941
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)butanamide
CID 92684483
2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 43876896
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323
N-[3-[1-(3,4-dichloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18908002
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
ethyl 3-[[(2R)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzoate
CID 99954695
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methoxyphenyl)butanamide
CID 18901133
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 93486492

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
The IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide (CID 28631688) is (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
The InChIKey is RQNUKOMSDPPWSQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17Cl2NO2S/c1-3-16(23-13-7-4-11(18)5-8-13)17(21)20-12-6-9-15(22-2)14(19)10-12/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide?
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide has a molecular weight of 370.30 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide is sourced from PubChem (CID 28631688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).