N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

C22H21N3O4S — CID 2583091

IUPACN-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-16(26)23-18-10-12-19(13-11-18)24-22(27)17-8-14-21(15-9-17)30(28,29)25(2)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,23,26)(H,24,27)
InChIKeyVSFONVMFUTYUTC-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.72
Rot. Bonds6

About N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2583091) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2583091
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-16(26)23-18-10-12-19(13-11-18)24-22(27)17-8-14-21(15-9-17)30(28,29)25(2)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,23,26)(H,24,27)
InChIKeyVSFONVMFUTYUTC-UHFFFAOYSA-N
XLogP3.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 2583091) is N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is VSFONVMFUTYUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-16(26)23-18-10-12-19(13-11-18)24-22(27)17-8-14-21(15-9-17)30(28,29)25(2)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2583091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).