N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide

C22H22N2O3S — CID 109060662

IUPACN-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-6-10-20(11-7-16)24-22(25)19-8-12-21(13-9-19)28(26,27)23-15-18-5-3-4-17(2)14-18/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyCDITUEFYHBXHEV-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.03
Rot. Bonds6

About N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide

N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109060662) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109060662
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-6-10-20(11-7-16)24-22(25)19-8-12-21(13-9-19)28(26,27)23-15-18-5-3-4-17(2)14-18/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyCDITUEFYHBXHEV-UHFFFAOYSA-N
XLogP4.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060652
4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
CID 109057844
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109059006
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060879
1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222648

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide (CID 109060662) is N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is CDITUEFYHBXHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-6-10-20(11-7-16)24-22(25)19-8-12-21(13-9-19)28(26,27)23-15-18-5-3-4-17(2)14-18/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109060662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).