(2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide

C26H30N2O6S — CID 30165489

IUPAC(2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(OC)ccc2OC)cc1C
InChIInChI=1S/C26H30N2O6S/c1-5-34-24-14-12-21(15-18(24)2)35(30,31)28-23(16-19-9-7-6-8-10-19)26(29)27-22-17-20(32-3)11-13-25(22)33-4/h6-15,17,23,28H,5,16H2,1-4H3,(H,27,29)/t23-/m0/s1
InChIKeyBEUGYOPPHGREKR-QHCPKHFHSA-N
MW498.60 g/mol
LogP3.94
Rot. Bonds11

About (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide

(2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 30165489) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID30165489
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name(2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(OC)ccc2OC)cc1C
InChIInChI=1S/C26H30N2O6S/c1-5-34-24-14-12-21(15-18(24)2)35(30,31)28-23(16-19-9-7-6-8-10-19)26(29)27-22-17-20(32-3)11-13-25(22)33-4/h6-15,17,23,28H,5,16H2,1-4H3,(H,27,29)/t23-/m0/s1
InChIKeyBEUGYOPPHGREKR-QHCPKHFHSA-N
XLogP3.94
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-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

(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 30166323
N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871248
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 30166321
(2S)-N-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165304
(2S)-N-(2,4-dichlorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165399
(2S)-N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165429
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 43889132
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 30166297
dimethyl 5-[[(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94862927
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N,3-diphenylpropanamide
CID 28541649
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide
CID 30165341
(2S)-N-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541743

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide (CID 30165489) is (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(OC)ccc2OC)cc1C.
What is the InChIKey of (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is BEUGYOPPHGREKR-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-5-34-24-14-12-21(15-18(24)2)35(30,31)28-23(16-19-9-7-6-8-10-19)26(29)27-22-17-20(32-3)11-13-25(22)33-4/h6-15,17,23,28H,5,16H2,1-4H3,(H,27,29)/t23-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide?
(2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 498.60 g/mol, XLogP of 3.94, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 30165489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).