2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide

C24H26N2O5S — CID 998643

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-17-10-12-21(18(2)14-17)25-24(27)16-26(32(28,29)20-8-6-5-7-9-20)19-11-13-22(30-3)23(15-19)31-4/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyNSXXENFAKJYCSK-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.15
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 998643) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID998643
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-17-10-12-21(18(2)14-17)25-24(27)16-26(32(28,29)20-8-6-5-7-9-20)19-11-13-22(30-3)23(15-19)31-4/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyNSXXENFAKJYCSK-UHFFFAOYSA-N
XLogP4.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)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-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 27042991
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
CID 998314
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139283
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 1099906
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 126274060
methyl 3-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]amino]-2-methylbenzoate
CID 126329816
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1312830
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 126129112
N-(2,4-dimethylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172229
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,5-dimethylphenyl)acetamide
CID 51345250
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897139
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126121226

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide (CID 998643) is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is NSXXENFAKJYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17-10-12-21(18(2)14-17)25-24(27)16-26(32(28,29)20-8-6-5-7-9-20)19-11-13-22(30-3)23(15-19)31-4/h5-15H,16H2,1-4H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 454.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 998643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).