2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide

C24H24N2O4S — CID 17433674

IUPAC2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
SMILESCC(=O)c1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-18-8-14-23(15-9-18)31(29,30)26(22-12-10-21(11-13-22)19(2)27)17-24(28)25-16-20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H,25,28)
InChIKeyJNLGDRJFYZQSPI-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.71
Rot. Bonds8

About 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide

2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide (PubChem CID 17433674) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
PubChem CID17433674
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
SMILESCC(=O)c1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-18-8-14-23(15-9-18)31(29,30)26(22-12-10-21(11-13-22)19(2)27)17-24(28)25-16-20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H,25,28)
InChIKeyJNLGDRJFYZQSPI-UHFFFAOYSA-N
XLogP3.71
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345394
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113155611
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 2896431
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 2279432
N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 53279394
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide?
The IUPAC name of 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide (CID 17433674) is 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide.
What is the SMILES notation for 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide?
The canonical SMILES for 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide is CC(=O)c1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide?
The InChIKey is JNLGDRJFYZQSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-18-8-14-23(15-9-18)31(29,30)26(22-12-10-21(11-13-22)19(2)27)17-24(28)25-16-20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide?
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide has a molecular weight of 436.53 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide is sourced from PubChem (CID 17433674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).