2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

C30H31N3O6S2 — CID 43880325

IUPAC2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C30H31N3O6S2/c1-21-5-14-28(15-6-21)41(37,38)33(29-18-7-22(2)19-23(29)3)20-30(34)31-24-10-16-27(17-11-24)40(35,36)32-25-8-12-26(39-4)13-9-25/h5-19,32H,20H2,1-4H3,(H,31,34)
InChIKeyGWQBBBMDMFWNPF-UHFFFAOYSA-N
MW593.73 g/mol
LogP5.26
Rot. Bonds10

About 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43880325) has the molecular formula C30H31N3O6S2 and a molecular weight of 593.73 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43880325
Molecular FormulaC30H31N3O6S2
Molecular Weight593.73 g/mol
Exact Mass593.17
IUPAC Name2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C30H31N3O6S2/c1-21-5-14-28(15-6-21)41(37,38)33(29-18-7-22(2)19-23(29)3)20-30(34)31-24-10-16-27(17-11-24)40(35,36)32-25-8-12-26(39-4)13-9-25/h5-19,32H,20H2,1-4H3,(H,31,34)
InChIKeyGWQBBBMDMFWNPF-UHFFFAOYSA-N
XLogP5.26
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 30170549
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880137
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881187
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880441
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880730
2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881526
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126412709
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43879935
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43880241
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30212074
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43881644
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881498

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (CID 43880325) is 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is GWQBBBMDMFWNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O6S2/c1-21-5-14-28(15-6-21)41(37,38)33(29-18-7-22(2)19-23(29)3)20-30(34)31-24-10-16-27(17-11-24)40(35,36)32-25-8-12-26(39-4)13-9-25/h5-19,32H,20H2,1-4H3,(H,31,34).
What are the key properties of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 593.73 g/mol, XLogP of 5.26, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43880325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).