2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide

C23H21N3O3S — CID 1137059

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-18-7-5-6-10-22(18)26(30(28,29)21-8-3-2-4-9-21)17-23(27)25-20-13-11-19(12-14-20)15-16-24/h2-14H,15,17H2,1H3,(H,25,27)
InChIKeyHCLRYOKQGMBEFE-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.90
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 1137059) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID1137059
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-18-7-5-6-10-22(18)26(30(28,29)21-8-3-2-4-9-21)17-23(27)25-20-13-11-19(12-14-20)15-16-24/h2-14H,15,17H2,1H3,(H,25,27)
InChIKeyHCLRYOKQGMBEFE-UHFFFAOYSA-N
XLogP3.90
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1278367
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126255214
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1288778
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(cyanomethyl)phenyl]acetamide
CID 51344617
2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100798933
N-[4-(cyanomethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30265378
N-[4-(cyanomethyl)phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1138681
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide
CID 30169165
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51343828
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880137
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(4-methoxyphenyl)acetamide
CID 1324420
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide (CID 1137059) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide is Cc1ccccc1N(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is HCLRYOKQGMBEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-18-7-5-6-10-22(18)26(30(28,29)21-8-3-2-4-9-21)17-23(27)25-20-13-11-19(12-14-20)15-16-24/h2-14H,15,17H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 1137059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).