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

C24H26N2O5S — CID 2890006

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H26N2O5S/c1-17-10-11-19(14-18(17)2)25-24(27)16-26(32(28,29)21-8-6-5-7-9-21)22-13-12-20(30-3)15-23(22)31-4/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyMPJYNGJEQKTAJF-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.15
Rot. Bonds8

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

2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 2890006) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID2890006
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H26N2O5S/c1-17-10-11-19(14-18(17)2)25-24(27)16-26(32(28,29)21-8-6-5-7-9-21)22-13-12-20(30-3)15-23(22)31-4/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyMPJYNGJEQKTAJF-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

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280522
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-methoxyphenyl)acetamide
CID 1361538
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881498
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide
CID 3139074
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 999354
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 1338919
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide
CID 126136501
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide
CID 1372425
methyl 4-[[2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 2206047
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-ethoxyphenyl)acetamide
CID 994355
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 1318772
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-phenoxyethyl)acetamide
CID 5234428

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide (CID 2890006) is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is MPJYNGJEQKTAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17-10-11-19(14-18(17)2)25-24(27)16-26(32(28,29)21-8-6-5-7-9-21)22-13-12-20(30-3)15-23(22)31-4/h5-15H,16H2,1-4H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-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)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 2890006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).