N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide

C23H24N2O4S — CID 3898663

IUPACN-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)COc3ccccc3)c2)c(C)c1
InChIInChI=1S/C23H24N2O4S/c1-16-9-12-21(18(3)13-16)25-30(27,28)20-11-10-17(2)22(14-20)24-23(26)15-29-19-7-5-4-6-8-19/h4-14,25H,15H2,1-3H3,(H,24,26)
InChIKeyCDAUPPSBFIGVNB-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.43
Rot. Bonds7

About N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide

N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide (PubChem CID 3898663) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide
PubChem CID3898663
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)COc3ccccc3)c2)c(C)c1
InChIInChI=1S/C23H24N2O4S/c1-16-9-12-21(18(3)13-16)25-30(27,28)20-11-10-17(2)22(14-20)24-23(26)15-29-19-7-5-4-6-8-19/h4-14,25H,15H2,1-3H3,(H,24,26)
InChIKeyCDAUPPSBFIGVNB-UHFFFAOYSA-N
XLogP4.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide (CID 3898663) is N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)COc3ccccc3)c2)c(C)c1.
What is the InChIKey of N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide?
The InChIKey is CDAUPPSBFIGVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-16-9-12-21(18(3)13-16)25-30(27,28)20-11-10-17(2)22(14-20)24-23(26)15-29-19-7-5-4-6-8-19/h4-14,25H,15H2,1-3H3,(H,24,26).
What are the key properties of N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide?
N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide has a molecular weight of 424.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 3898663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).