(2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide

C30H26Cl2N2O5S — CID 94863261

IUPAC(2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C30H26Cl2N2O5S/c1-2-39-28-16-14-23(19-25(28)32)40(37,38)34-27(17-20-9-5-3-6-10-20)30(36)33-26-15-13-22(31)18-24(26)29(35)21-11-7-4-8-12-21/h3-16,18-19,27,34H,2,17H2,1H3,(H,33,36)/t27-/m1/s1
InChIKeyZIYOAXZNPGWYIH-HHHXNRCGSA-N
MW597.52 g/mol
LogP6.15
Rot. Bonds11

About (2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide

(2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 94863261) has the molecular formula C30H26Cl2N2O5S and a molecular weight of 597.52 g/mol. Its IUPAC name is (2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID94863261
Molecular FormulaC30H26Cl2N2O5S
Molecular Weight597.52 g/mol
Exact Mass596.09
IUPAC Name(2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C30H26Cl2N2O5S/c1-2-39-28-16-14-23(19-25(28)32)40(37,38)34-27(17-20-9-5-3-6-10-20)30(36)33-26-15-13-22(31)18-24(26)29(35)21-11-7-4-8-12-21/h3-16,18-19,27,34H,2,17H2,1H3,(H,33,36)/t27-/m1/s1
InChIKeyZIYOAXZNPGWYIH-HHHXNRCGSA-N
XLogP6.15
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.52
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 15327306
(2S)-N-(2,4-dichlorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165399
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,5-dichlorophenyl)-3-phenylpropanamide
CID 94863229
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 30166297
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-naphthalen-1-yl-3-phenylpropanamide
CID 30166236
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 30166321
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 94863226
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-3-phenylpropanamide
CID 28539179
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 30166323
dimethyl 5-[[(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94863021
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide
CID 30166351
(2R)-N-benzhydryl-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94863263

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 94863261) is (2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl.
What is the InChIKey of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is ZIYOAXZNPGWYIH-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H26Cl2N2O5S/c1-2-39-28-16-14-23(19-25(28)32)40(37,38)34-27(17-20-9-5-3-6-10-20)30(36)33-26-15-13-22(31)18-24(26)29(35)21-11-7-4-8-12-21/h3-16,18-19,27,34H,2,17H2,1H3,(H,33,36)/t27-/m1/s1.
What are the key properties of (2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 597.52 g/mol, XLogP of 6.15, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzoyl-4-chlorophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 94863261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).