2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide

C23H23ClN2O3S — CID 51343222

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H23ClN2O3S/c1-16-9-12-22(18(3)13-16)26(30(28,29)20-7-5-4-6-8-20)15-23(27)25-21-14-19(24)11-10-17(21)2/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyKGNWYROBSUQVJR-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.10
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 51343222) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID51343222
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H23ClN2O3S/c1-16-9-12-22(18(3)13-16)26(30(28,29)20-7-5-4-6-8-20)15-23(27)25-21-14-19(24)11-10-17(21)2/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyKGNWYROBSUQVJR-UHFFFAOYSA-N
XLogP5.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337126
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343675
N-(5-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1248067
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51344748
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2278594
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1335769
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 1344293
N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 3910967
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563
N-(5-chloro-2-methoxyphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2278698
N-(2,5-dimethylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170327

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide (CID 51343222) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide is Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is KGNWYROBSUQVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-16-9-12-22(18(3)13-16)26(30(28,29)20-7-5-4-6-8-20)15-23(27)25-21-14-19(24)11-10-17(21)2/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 442.97 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 51343222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).