2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide

C24H23ClN2O2S — CID 2194523

IUPAC2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C24H23ClN2O2S/c1-16(18-8-4-3-5-9-18)26-24(29)21-10-6-7-11-22(21)27-23(28)17(2)30-20-14-12-19(25)13-15-20/h3-17H,1-2H3,(H,26,29)(H,27,28)/t16-,17+/m1/s1
InChIKeyYYLOAVZAMJDMAI-SJORKVTESA-N
MW438.98 g/mol
LogP5.95
Rot. Bonds7

About 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide

2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 2194523) has the molecular formula C24H23ClN2O2S and a molecular weight of 438.98 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID2194523
Molecular FormulaC24H23ClN2O2S
Molecular Weight438.98 g/mol
Exact Mass438.12
IUPAC Name2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C24H23ClN2O2S/c1-16(18-8-4-3-5-9-18)26-24(29)21-10-6-7-11-22(21)27-23(28)17(2)30-20-14-12-19(25)13-15-20/h3-17H,1-2H3,(H,26,29)(H,27,28)/t16-,17+/m1/s1
InChIKeyYYLOAVZAMJDMAI-SJORKVTESA-N
XLogP5.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 126117121
2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 92672042
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
CID 1257684
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 86929881
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
CID 28570718
2-[[(2S)-2-phenoxypropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 29448293
2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide
CID 134037936
N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide
CID 18109178
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide (CID 2194523) is 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide is C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is YYLOAVZAMJDMAI-SJORKVTESA-N. The full InChI is InChI=1S/C24H23ClN2O2S/c1-16(18-8-4-3-5-9-18)26-24(29)21-10-6-7-11-22(21)27-23(28)17(2)30-20-14-12-19(25)13-15-20/h3-17H,1-2H3,(H,26,29)(H,27,28)/t16-,17+/m1/s1.
What are the key properties of 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 438.98 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 2194523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).