(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide

C26H30N2O5S — CID 28538282

IUPAC(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
SMILESCCc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N2O5S/c1-5-20-13-9-10-18(2)25(20)27-26(29)22(16-19-11-7-6-8-12-19)28-34(30,31)21-14-15-23(32-3)24(17-21)33-4/h6-15,17,22,28H,5,16H2,1-4H3,(H,27,29)/t22-/m0/s1
InChIKeyQXVRDUVKZAFQBY-QFIPXVFZSA-N
MW482.60 g/mol
LogP4.10
Rot. Bonds10

About (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide

(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide (PubChem CID 28538282) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
PubChem CID28538282
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
SMILESCCc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N2O5S/c1-5-20-13-9-10-18(2)25(20)27-26(29)22(16-19-11-7-6-8-12-19)28-34(30,31)21-14-15-23(32-3)24(17-21)33-4/h6-15,17,22,28H,5,16H2,1-4H3,(H,27,29)/t22-/m0/s1
InChIKeyQXVRDUVKZAFQBY-QFIPXVFZSA-N
XLogP4.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-ethyl-6-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541697
(2S)-N-(2-ethyl-6-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541699
N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890719
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide
CID 28539074
(2R)-N-(2,6-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538422
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
CID 28538298
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 41374333
N-(3-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870844
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N,3-diphenylpropanamide
CID 28541649
N-(3-acetylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870823
(2R)-N-(2,6-diethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540304
(2R)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538432

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide (CID 28538282) is (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide is CCc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide?
The InChIKey is QXVRDUVKZAFQBY-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-5-20-13-9-10-18(2)25(20)27-26(29)22(16-19-11-7-6-8-12-19)28-34(30,31)21-14-15-23(32-3)24(17-21)33-4/h6-15,17,22,28H,5,16H2,1-4H3,(H,27,29)/t22-/m0/s1.
What are the key properties of (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide?
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide has a molecular weight of 482.60 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 28538282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).