(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide

C23H22ClN3O6S — CID 28542970

IUPAC(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C23H22ClN3O6S/c1-15-8-10-18(27(29)30)14-19(15)25-23(28)20(12-16-6-4-3-5-7-16)26-34(31,32)22-13-17(24)9-11-21(22)33-2/h3-11,13-14,20,26H,12H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyFFQFIAADZIVXLL-FQEVSTJZSA-N
MW503.96 g/mol
LogP4.09
Rot. Bonds9

About (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide (PubChem CID 28542970) has the molecular formula C23H22ClN3O6S and a molecular weight of 503.96 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
PubChem CID28542970
Molecular FormulaC23H22ClN3O6S
Molecular Weight503.96 g/mol
Exact Mass503.09
IUPAC Name(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C23H22ClN3O6S/c1-15-8-10-18(27(29)30)14-19(15)25-23(28)20(12-16-6-4-3-5-7-16)26-34(31,32)22-13-17(24)9-11-21(22)33-2/h3-11,13-14,20,26H,12H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyFFQFIAADZIVXLL-FQEVSTJZSA-N
XLogP4.09
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.96
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-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-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771
(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861070
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 28542619
(2S)-N-(2-methyl-5-nitrophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537807
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)-3-phenylpropanamide
CID 28542641
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
CID 43889226
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 43871602
N-(2,4-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871086
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540016
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-phenoxyphenyl)-3-phenylpropanamide
CID 94861057
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide (CID 28542970) is (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide is COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide?
The InChIKey is FFQFIAADZIVXLL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H22ClN3O6S/c1-15-8-10-18(27(29)30)14-19(15)25-23(28)20(12-16-6-4-3-5-7-16)26-34(31,32)22-13-17(24)9-11-21(22)33-2/h3-11,13-14,20,26H,12H2,1-2H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide?
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide has a molecular weight of 503.96 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 28542970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).