methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate

C23H21ClN2O5S — CID 41374454

IUPACmethyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O5S/c1-31-23(28)19-9-5-6-10-20(19)25-22(27)21(15-16-7-3-2-4-8-16)26-32(29,30)18-13-11-17(24)12-14-18/h2-14,21,26H,15H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyVCICDLKAOOZBSS-OAQYLSRUSA-N
MW472.95 g/mol
LogP3.65
Rot. Bonds8

About methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate

methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate (PubChem CID 41374454) has the molecular formula C23H21ClN2O5S and a molecular weight of 472.95 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
PubChem CID41374454
Molecular FormulaC23H21ClN2O5S
Molecular Weight472.95 g/mol
Exact Mass472.09
IUPAC Namemethyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O5S/c1-31-23(28)19-9-5-6-10-20(19)25-22(27)21(15-16-7-3-2-4-8-16)26-32(29,30)18-13-11-17(24)12-14-18/h2-14,21,26H,15H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyVCICDLKAOOZBSS-OAQYLSRUSA-N
XLogP3.65
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
CID 28539327
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 41382148
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2-phenylphenyl)propanamide
CID 42697365
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 40932005
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide
CID 41374437
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
(2S)-N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 15327306
N-(4-chlorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891461
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 41374333
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 41374475

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate (CID 41374454) is methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate?
The InChIKey is VCICDLKAOOZBSS-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21ClN2O5S/c1-31-23(28)19-9-5-6-10-20(19)25-22(27)21(15-16-7-3-2-4-8-16)26-32(29,30)18-13-11-17(24)12-14-18/h2-14,21,26H,15H2,1H3,(H,25,27)/t21-/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate?
methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate has a molecular weight of 472.95 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate is sourced from PubChem (CID 41374454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).