(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide

C23H22ClNOS2 — CID 28635750

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C23H22ClNOS2/c1-2-22(28-21-14-10-18(24)11-15-21)23(26)25-19-12-8-17(9-13-19)16-27-20-6-4-3-5-7-20/h3-15,22H,2,16H2,1H3,(H,25,26)/t22-/m1/s1
InChIKeyWBZYXJATPUROMR-JOCHJYFZSA-N
MW428.02 g/mol
LogP7.14
Rot. Bonds8

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide (PubChem CID 28635750) has the molecular formula C23H22ClNOS2 and a molecular weight of 428.02 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
PubChem CID28635750
Molecular FormulaC23H22ClNOS2
Molecular Weight428.02 g/mol
Exact Mass427.08
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C23H22ClNOS2/c1-2-22(28-21-14-10-18(24)11-15-21)23(26)25-19-12-8-17(9-13-19)16-27-20-6-4-3-5-7-20/h3-15,22H,2,16H2,1H3,(H,25,26)/t22-/m1/s1
InChIKeyWBZYXJATPUROMR-JOCHJYFZSA-N
XLogP7.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.02
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905978
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
2-[[3-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895694
(2S)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 30386688
N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
(2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide
CID 167593912
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
CID 92673326
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
CID 28565969
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
CID 132761064

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide (CID 28635750) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide?
The InChIKey is WBZYXJATPUROMR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22ClNOS2/c1-2-22(28-21-14-10-18(24)11-15-21)23(26)25-19-12-8-17(9-13-19)16-27-20-6-4-3-5-7-20/h3-15,22H,2,16H2,1H3,(H,25,26)/t22-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide has a molecular weight of 428.02 g/mol, XLogP of 7.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide is sourced from PubChem (CID 28635750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).