2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide

C23H24N2O3S — CID 1372321

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H24N2O3S/c1-17-8-7-9-20(14-17)24-23(26)16-25(22-15-18(2)12-13-19(22)3)29(27,28)21-10-5-4-6-11-21/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyAPKBUAIDNLQARB-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.45
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide (PubChem CID 1372321) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide
PubChem CID1372321
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H24N2O3S/c1-17-8-7-9-20(14-17)24-23(26)16-25(22-15-18(2)12-13-19(22)3)29(27,28)21-10-5-4-6-11-21/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyAPKBUAIDNLQARB-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30170588
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylphenyl)acetamide
CID 30173912
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide
CID 43901838
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1309384
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide
CID 30169165
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126129293
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl chloride
CID 50891647
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51343230
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126130122
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide
CID 1311149
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2283139

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide (CID 1372321) is 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide?
The InChIKey is APKBUAIDNLQARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-8-7-9-20(14-17)24-23(26)16-25(22-15-18(2)12-13-19(22)3)29(27,28)21-10-5-4-6-11-21/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide has a molecular weight of 408.52 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 1372321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).