2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide

C23H24N2O3S — CID 51345395

IUPAC2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-9-13-22(14-10-17)29(27,28)25(21-12-11-18(2)19(3)15-21)16-23(26)24-20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyZZCZIJLJWUOYKH-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.45
Rot. Bonds6

About 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide

2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide (PubChem CID 51345395) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
PubChem CID51345395
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-9-13-22(14-10-17)29(27,28)25(21-12-11-18(2)19(3)15-21)16-23(26)24-20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyZZCZIJLJWUOYKH-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

N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343969
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,5-dimethylphenyl)acetamide
CID 51345250
N-benzyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345394
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343967
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 51345410
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881631
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 51345251
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30306205
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1000004
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171324
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126116872

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide?
The IUPAC name of 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide (CID 51345395) is 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide?
The InChIKey is ZZCZIJLJWUOYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-9-13-22(14-10-17)29(27,28)25(21-12-11-18(2)19(3)15-21)16-23(26)24-20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of 2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide?
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide 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-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide is sourced from PubChem (CID 51345395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).