(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide

C23H22BrClN2O3S — CID 92645898

IUPAC(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22BrClN2O3S/c1-16(18-7-11-20(25)12-8-18)26-23(28)22(15-17-5-3-2-4-6-17)27-31(29,30)21-13-9-19(24)10-14-21/h2-14,16,22,27H,15H2,1H3,(H,26,28)/t16-,22-/m1/s1
InChIKeyLBXAYQAOARNEBK-OPAMFIHVSA-N
MW521.86 g/mol
LogP4.87
Rot. Bonds8

About (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 92645898) has the molecular formula C23H22BrClN2O3S and a molecular weight of 521.86 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
PubChem CID92645898
Molecular FormulaC23H22BrClN2O3S
Molecular Weight521.86 g/mol
Exact Mass520.02
IUPAC Name(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22BrClN2O3S/c1-16(18-7-11-20(25)12-8-18)26-23(28)22(15-17-5-3-2-4-6-17)27-31(29,30)21-13-9-19(24)10-14-21/h2-14,16,22,27H,15H2,1H3,(H,26,28)/t16-,22-/m1/s1
InChIKeyLBXAYQAOARNEBK-OPAMFIHVSA-N
XLogP4.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.86
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide 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

(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 41374254
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 92645807
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645904
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645902
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94863030
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645866
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 99945696
(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861073
N-[1-(4-chlorophenyl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871442
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 94864304
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30144183
(2R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30144193

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide (CID 92645898) is (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide is C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is LBXAYQAOARNEBK-OPAMFIHVSA-N. The full InChI is InChI=1S/C23H22BrClN2O3S/c1-16(18-7-11-20(25)12-8-18)26-23(28)22(15-17-5-3-2-4-6-17)27-31(29,30)21-13-9-19(24)10-14-21/h2-14,16,22,27H,15H2,1H3,(H,26,28)/t16-,22-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide?
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 521.86 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 92645898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).