2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide

C24H25ClN2O3S — CID 126139467

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C24H25ClN2O3S/c1-16-12-18(3)24(19(4)13-16)26-23(28)15-27(22-14-20(25)11-10-17(22)2)31(29,30)21-8-6-5-7-9-21/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyZXYIWUKIPLMGKR-UHFFFAOYSA-N
MW457.00 g/mol
LogP5.41
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 126139467) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID126139467
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C24H25ClN2O3S/c1-16-12-18(3)24(19(4)13-16)26-23(28)15-27(22-14-20(25)11-10-17(22)2)31(29,30)21-8-6-5-7-9-21/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyZXYIWUKIPLMGKR-UHFFFAOYSA-N
XLogP5.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)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-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343675
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-fluorophenyl)acetamide
CID 3611003
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetic acid
CID 872896
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126138604
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880905
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 126279267
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetate
CID 7454068
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 30170103
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126032037
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2-ethoxyphenyl)acetamide
CID 1099987

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide (CID 126139467) is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is ZXYIWUKIPLMGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-16-12-18(3)24(19(4)13-16)26-23(28)15-27(22-14-20(25)11-10-17(22)2)31(29,30)21-8-6-5-7-9-21/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 457.00 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 126139467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).