2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide

C29H28ClN3O5S2 — CID 4217286

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1
InChIInChI=1S/C29H28ClN3O5S2/c1-20-8-17-27(22(3)18-20)32-39(35,36)25-15-11-24(12-16-25)31-29(34)19-33(28-7-5-4-6-21(28)2)40(37,38)26-13-9-23(30)10-14-26/h4-18,32H,19H2,1-3H3,(H,31,34)
InChIKeyDSOIEUMSQFYLIL-UHFFFAOYSA-N
MW598.15 g/mol
LogP5.90
Rot. Bonds9

About 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4217286) has the molecular formula C29H28ClN3O5S2 and a molecular weight of 598.15 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID4217286
Molecular FormulaC29H28ClN3O5S2
Molecular Weight598.15 g/mol
Exact Mass597.12
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1
InChIInChI=1S/C29H28ClN3O5S2/c1-20-8-17-27(22(3)18-20)32-39(35,36)25-15-11-24(12-16-25)31-29(34)19-33(28-7-5-4-6-21(28)2)40(37,38)26-13-9-23(30)10-14-26/h4-18,32H,19H2,1-3H3,(H,31,34)
InChIKeyDSOIEUMSQFYLIL-UHFFFAOYSA-N
XLogP5.90
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.15
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126416913
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880441
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880202
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556
N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879946
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880979
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 28589548
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034182
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126414676
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126181644

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide (CID 4217286) is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is DSOIEUMSQFYLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN3O5S2/c1-20-8-17-27(22(3)18-20)32-39(35,36)25-15-11-24(12-16-25)31-29(34)19-33(28-7-5-4-6-21(28)2)40(37,38)26-13-9-23(30)10-14-26/h4-18,32H,19H2,1-3H3,(H,31,34).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 598.15 g/mol, XLogP of 5.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4217286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).