N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide

C21H25ClN2O2S — CID 28570718

IUPACN-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC
InChIInChI=1S/C21H25ClN2O2S/c1-4-14(3)23-20(25)17-8-6-7-9-18(17)24-21(26)19(5-2)27-16-12-10-15(22)11-13-16/h6-14,19H,4-5H2,1-3H3,(H,23,25)(H,24,26)/t14-,19-/m0/s1
InChIKeySPICBVBOTSEANE-LIRRHRJNSA-N
MW404.96 g/mol
LogP5.38
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide

N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide (PubChem CID 28570718) has the molecular formula C21H25ClN2O2S and a molecular weight of 404.96 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
PubChem CID28570718
Molecular FormulaC21H25ClN2O2S
Molecular Weight404.96 g/mol
Exact Mass404.13
IUPAC NameN-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC
InChIInChI=1S/C21H25ClN2O2S/c1-4-14(3)23-20(25)17-8-6-7-9-18(17)24-21(26)19(5-2)27-16-12-10-15(22)11-13-16/h6-14,19H,4-5H2,1-3H3,(H,23,25)(H,24,26)/t14-,19-/m0/s1
InChIKeySPICBVBOTSEANE-LIRRHRJNSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide 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

2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 92672042
2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide
CID 46771617
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
CID 92673326
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-propan-2-ylbutanamide
CID 30392493
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92684645
N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]amino]benzamide
CID 26706384
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2194523
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 26254416

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide (CID 28570718) is N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide is CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide?
The InChIKey is SPICBVBOTSEANE-LIRRHRJNSA-N. The full InChI is InChI=1S/C21H25ClN2O2S/c1-4-14(3)23-20(25)17-8-6-7-9-18(17)24-21(26)19(5-2)27-16-12-10-15(22)11-13-16/h6-14,19H,4-5H2,1-3H3,(H,23,25)(H,24,26)/t14-,19-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide?
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide has a molecular weight of 404.96 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide is sourced from PubChem (CID 28570718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).