(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide

C23H21ClN2O4S — CID 51961574

IUPAC(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O4S/c1-16(27)18-9-13-21(14-10-18)31(29,30)26-22(19-5-3-2-4-6-19)23(28)25-15-17-7-11-20(24)12-8-17/h2-14,22,26H,15H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyTUZKZGLBUBECHH-JOCHJYFZSA-N
MW456.95 g/mol
LogP3.88
Rot. Bonds8

About (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide

(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide (PubChem CID 51961574) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide
PubChem CID51961574
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC Name(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O4S/c1-16(27)18-9-13-21(14-10-18)31(29,30)26-22(19-5-3-2-4-6-19)23(28)25-15-17-7-11-20(24)12-8-17/h2-14,22,26H,15H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyTUZKZGLBUBECHH-JOCHJYFZSA-N
XLogP3.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide 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

(2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide
CID 51961571
4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 70638313
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 41374144
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 28561823
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide
CID 92842730
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 43874767
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide (CID 51961574) is (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide is CC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide?
The InChIKey is TUZKZGLBUBECHH-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c1-16(27)18-9-13-21(14-10-18)31(29,30)26-22(19-5-3-2-4-6-19)23(28)25-15-17-7-11-20(24)12-8-17/h2-14,22,26H,15H2,1H3,(H,25,28)/t22-/m1/s1.
What are the key properties of (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide?
(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide has a molecular weight of 456.95 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 51961574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).