(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide

C25H28N2O5S — CID 28538298

IUPAC(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-17-12-18(2)14-20(13-17)26-25(28)22(15-19-8-6-5-7-9-19)27-33(29,30)21-10-11-23(31-3)24(16-21)32-4/h5-14,16,22,27H,15H2,1-4H3,(H,26,28)/t22-/m1/s1
InChIKeyCRQQDFUVTSCEGS-JOCHJYFZSA-N
MW468.58 g/mol
LogP3.85
Rot. Bonds9

About (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide

(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide (PubChem CID 28538298) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
PubChem CID28538298
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-17-12-18(2)14-20(13-17)26-25(28)22(15-19-8-6-5-7-9-19)27-33(29,30)21-10-11-23(31-3)24(16-21)32-4/h5-14,16,22,27H,15H2,1-4H3,(H,26,28)/t22-/m1/s1
InChIKeyCRQQDFUVTSCEGS-JOCHJYFZSA-N
XLogP3.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538432
N-(3-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870844
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N,3-diphenylpropanamide
CID 28541649
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28541662
(2S)-N-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165304
N-(3-acetylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870823
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide
CID 43870807
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870729
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28538144
(2R)-N-(2,6-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538422
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 28538282

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide (CID 28538298) is (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide is COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide?
The InChIKey is CRQQDFUVTSCEGS-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-17-12-18(2)14-20(13-17)26-25(28)22(15-19-8-6-5-7-9-19)27-33(29,30)21-10-11-23(31-3)24(16-21)32-4/h5-14,16,22,27H,15H2,1-4H3,(H,26,28)/t22-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide?
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide has a molecular weight of 468.58 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 28538298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).