2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide

C23H24N2O3S — CID 1311149

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-19-12-14-21(15-13-19)25(29(27,28)22-10-5-4-6-11-22)17-23(26)24-20-9-7-8-18(2)16-20/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyADTWKTLGUBEGIE-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.39
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide (PubChem CID 1311149) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide
PubChem CID1311149
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-19-12-14-21(15-13-19)25(29(27,28)22-10-5-4-6-11-22)17-23(26)24-20-9-7-8-18(2)16-20/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyADTWKTLGUBEGIE-UHFFFAOYSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 18097238
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide
CID 1372321
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 3996384
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30171593
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 1320251
N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide
CID 30257983
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(4-ethylphenyl)acetamide
CID 53281300
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1320131
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1288293
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide (CID 1311149) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide is CCc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide?
The InChIKey is ADTWKTLGUBEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-19-12-14-21(15-13-19)25(29(27,28)22-10-5-4-6-11-22)17-23(26)24-20-9-7-8-18(2)16-20/h4-16H,3,17H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide has a molecular weight of 408.52 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 1311149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).