2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

C28H27N3O6S2 — CID 43880137

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H27N3O6S2/c1-21-8-6-7-11-27(21)31(39(35,36)26-9-4-3-5-10-26)20-28(32)29-22-14-18-25(19-15-22)38(33,34)30-23-12-16-24(37-2)17-13-23/h3-19,30H,20H2,1-2H3,(H,29,32)
InChIKeyVUKICAIHUFPGTR-UHFFFAOYSA-N
MW565.67 g/mol
LogP4.64
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43880137) has the molecular formula C28H27N3O6S2 and a molecular weight of 565.67 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43880137
Molecular FormulaC28H27N3O6S2
Molecular Weight565.67 g/mol
Exact Mass565.13
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H27N3O6S2/c1-21-8-6-7-11-27(21)31(39(35,36)26-9-4-3-5-10-26)20-28(32)29-22-14-18-25(19-15-22)38(33,34)30-23-12-16-24(37-2)17-13-23/h3-19,30H,20H2,1-2H3,(H,29,32)
InChIKeyVUKICAIHUFPGTR-UHFFFAOYSA-N
XLogP4.64
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.67
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880325
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(4-methoxyphenyl)acetamide
CID 1324420
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43879935
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881547
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880730
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881498
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-methoxyphenyl)acetamide
CID 1361538
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 30170549
2-(2-methyl-N-methylsulfonylanilino)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55359292
N-(3,4-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280522
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43907781

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (CID 43880137) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is VUKICAIHUFPGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O6S2/c1-21-8-6-7-11-27(21)31(39(35,36)26-9-4-3-5-10-26)20-28(32)29-22-14-18-25(19-15-22)38(33,34)30-23-12-16-24(37-2)17-13-23/h3-19,30H,20H2,1-2H3,(H,29,32).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 565.67 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43880137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).