(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide

C18H20ClNOS2 — CID 92673326

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
SMILESCCSc1ccccc1NC(=O)C(CC)Sc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNOS2/c1-3-16(23-14-11-9-13(19)10-12-14)18(21)20-15-7-5-6-8-17(15)22-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21)
InChIKeyAGJGERSSAGLPGA-UHFFFAOYSA-N
MW365.95 g/mol
LogP5.96
Rot. Bonds7

About (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide (PubChem CID 92673326) has the molecular formula C18H20ClNOS2 and a molecular weight of 365.95 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
PubChem CID92673326
Molecular FormulaC18H20ClNOS2
Molecular Weight365.95 g/mol
Exact Mass365.07
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
SMILESCCSc1ccccc1NC(=O)C(CC)Sc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNOS2/c1-3-16(23-14-11-9-13(19)10-12-14)18(21)20-15-7-5-6-8-17(15)22-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21)
InChIKeyAGJGERSSAGLPGA-UHFFFAOYSA-N
XLogP5.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.95
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 43876067
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
CID 28570718
2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 92672042
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide
CID 46771617
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
CID 132761064
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 28635750
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
CID 30390941

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide (CID 92673326) is (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide is CCSc1ccccc1NC(=O)C(CC)Sc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide?
The InChIKey is AGJGERSSAGLPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNOS2/c1-3-16(23-14-11-9-13(19)10-12-14)18(21)20-15-7-5-6-8-17(15)22-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21).
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide has a molecular weight of 365.95 g/mol, XLogP of 5.96, 7 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-(2-ethylsulfanylphenyl)butanamide is sourced from PubChem (CID 92673326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).