2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide

C25H29N3O7S2 — CID 43880089

IUPAC2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C25H29N3O7S2/c1-17-6-7-18(2)22(14-17)27-37(32,33)21-11-8-19(9-12-21)26-25(29)16-28(36(5,30)31)23-13-10-20(34-3)15-24(23)35-4/h6-15,27H,16H2,1-5H3,(H,26,29)
InChIKeyPHDIICODZHUQGS-UHFFFAOYSA-N
MW547.66 g/mol
LogP3.53
Rot. Bonds10

About 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide

2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43880089) has the molecular formula C25H29N3O7S2 and a molecular weight of 547.66 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43880089
Molecular FormulaC25H29N3O7S2
Molecular Weight547.66 g/mol
Exact Mass547.14
IUPAC Name2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C25H29N3O7S2/c1-17-6-7-18(2)22(14-17)27-37(32,33)21-11-8-19(9-12-21)26-25(29)16-28(36(5,30)31)23-13-10-20(34-3)15-24(23)35-4/h6-15,27H,16H2,1-5H3,(H,26,29)
InChIKeyPHDIICODZHUQGS-UHFFFAOYSA-N
XLogP3.53
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.66
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43880241
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43881644
2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881526
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 28589422
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 28589548
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 28589582
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998604
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,5-dimethylphenyl)acetamide
CID 92672071
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3921023
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 28589406
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51342756

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide (CID 43880089) is 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is PHDIICODZHUQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O7S2/c1-17-6-7-18(2)22(14-17)27-37(32,33)21-11-8-19(9-12-21)26-25(29)16-28(36(5,30)31)23-13-10-20(34-3)15-24(23)35-4/h6-15,27H,16H2,1-5H3,(H,26,29).
What are the key properties of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 547.66 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43880089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).