2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

C24H27N3O8S2 — CID 43881644

IUPAC2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H27N3O8S2/c1-33-19-9-5-18(6-10-19)26-37(31,32)21-12-7-17(8-13-21)25-24(28)16-27(36(4,29)30)22-14-11-20(34-2)15-23(22)35-3/h5-15,26H,16H2,1-4H3,(H,25,28)
InChIKeyQLLUZMDLNDUJRZ-UHFFFAOYSA-N
MW549.63 g/mol
LogP2.92
Rot. Bonds11

About 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43881644) has the molecular formula C24H27N3O8S2 and a molecular weight of 549.63 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43881644
Molecular FormulaC24H27N3O8S2
Molecular Weight549.63 g/mol
Exact Mass549.12
IUPAC Name2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H27N3O8S2/c1-33-19-9-5-18(6-10-19)26-37(31,32)21-12-7-17(8-13-21)25-24(28)16-27(36(4,29)30)22-14-11-20(34-2)15-23(22)35-3/h5-15,26H,16H2,1-4H3,(H,25,28)
InChIKeyQLLUZMDLNDUJRZ-UHFFFAOYSA-N
XLogP2.92
TPSA140.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.63
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 28589422
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880089
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998604
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51342756
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881498
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43880241
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 28589406
2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881526
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880325
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881187

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (CID 43881644) is 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is QLLUZMDLNDUJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O8S2/c1-33-19-9-5-18(6-10-19)26-37(31,32)21-12-7-17(8-13-21)25-24(28)16-27(36(4,29)30)22-14-11-20(34-2)15-23(22)35-3/h5-15,26H,16H2,1-4H3,(H,25,28).
What are the key properties of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 549.63 g/mol, XLogP of 2.92, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).