2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

C26H30N2O4S — CID 30199967

IUPAC2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCCc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H30N2O4S/c1-4-20-11-9-10-14-25(20)28(33(30,31)23-12-7-6-8-13-23)19-26(29)27-24(5-2)21-15-17-22(32-3)18-16-21/h6-18,24H,4-5,19H2,1-3H3,(H,27,29)/t24-/m1/s1
InChIKeySDGDZFOYGVRPTA-XMMPIXPASA-N
MW466.60 g/mol
LogP4.72
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 30199967) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID30199967
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCCc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H30N2O4S/c1-4-20-11-9-10-14-25(20)28(33(30,31)23-12-7-6-8-13-23)19-26(29)27-24(5-2)21-15-17-22(32-3)18-16-21/h6-18,24H,4-5,19H2,1-3H3,(H,27,29)/t24-/m1/s1
InChIKeySDGDZFOYGVRPTA-XMMPIXPASA-N
XLogP4.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30207829
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30175779
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885576
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92676327
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304509
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28576788
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 43886231
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30252296
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2897499
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30212074

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (CID 30199967) is 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is CCc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is SDGDZFOYGVRPTA-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-4-20-11-9-10-14-25(20)28(33(30,31)23-12-7-6-8-13-23)19-26(29)27-24(5-2)21-15-17-22(32-3)18-16-21/h6-18,24H,4-5,19H2,1-3H3,(H,27,29)/t24-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30199967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).