2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide

C21H25ClN2O2S — CID 46771617

IUPAC2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C21H25ClN2O2S/c1-4-19(27-16-11-9-15(22)10-12-16)21(26)24-18-8-6-5-7-17(18)20(25)23-13-14(2)3/h5-12,14,19H,4,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyYEDSKANTUWYNPP-UHFFFAOYSA-N
MW404.96 g/mol
LogP5.24
Rot. Bonds8

About 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide

2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide (PubChem CID 46771617) has the molecular formula C21H25ClN2O2S and a molecular weight of 404.96 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide
PubChem CID46771617
Molecular FormulaC21H25ClN2O2S
Molecular Weight404.96 g/mol
Exact Mass404.13
IUPAC Name2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C21H25ClN2O2S/c1-4-19(27-16-11-9-15(22)10-12-16)21(26)24-18-8-6-5-7-17(18)20(25)23-13-14(2)3/h5-12,14,19H,4,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyYEDSKANTUWYNPP-UHFFFAOYSA-N
XLogP5.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.96
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 94018644
2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 43876067
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
CID 92673326
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
2-[(2,2-diphenylacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1369721
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
CID 11841449
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
CID 132761064
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 86929881

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide (CID 46771617) is 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide is CCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is YEDSKANTUWYNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2S/c1-4-19(27-16-11-9-15(22)10-12-16)21(26)24-18-8-6-5-7-17(18)20(25)23-13-14(2)3/h5-12,14,19H,4,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide?
2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 404.96 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46771617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).