2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide

C28H34N2O5S — CID 43886231

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(CC(C)C)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H34N2O5S/c1-5-35-27-14-10-9-13-26(27)30(36(32,33)24-11-7-6-8-12-24)20-28(31)29-25(19-21(2)3)22-15-17-23(34-4)18-16-22/h6-18,21,25H,5,19-20H2,1-4H3,(H,29,31)
InChIKeyWSEAUTHYKGABTF-UHFFFAOYSA-N
MW510.66 g/mol
LogP5.19
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide (PubChem CID 43886231) has the molecular formula C28H34N2O5S and a molecular weight of 510.66 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
PubChem CID43886231
Molecular FormulaC28H34N2O5S
Molecular Weight510.66 g/mol
Exact Mass510.22
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(CC(C)C)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H34N2O5S/c1-5-35-27-14-10-9-13-26(27)30(36(32,33)24-11-7-6-8-12-24)20-28(31)29-25(19-21(2)3)22-15-17-23(34-4)18-16-22/h6-18,21,25H,5,19-20H2,1-4H3,(H,29,31)
InChIKeyWSEAUTHYKGABTF-UHFFFAOYSA-N
XLogP5.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.66
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide 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

2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94864369
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30397252
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92677470
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43901953
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92681102
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methylphenyl)propyl]acetamide
CID 43901964
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28636198
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46773052
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94020310
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30220367
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30199967

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide (CID 43886231) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide is CCOc1ccccc1N(CC(=O)NC(CC(C)C)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The InChIKey is WSEAUTHYKGABTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5S/c1-5-35-27-14-10-9-13-26(27)30(36(32,33)24-11-7-6-8-12-24)20-28(31)29-25(19-21(2)3)22-15-17-23(34-4)18-16-22/h6-18,21,25H,5,19-20H2,1-4H3,(H,29,31).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide has a molecular weight of 510.66 g/mol, XLogP of 5.19, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 43886231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).