N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

C22H22N2O3S — CID 2979882

IUPACN-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-7-11-18(12-8-16)15-23-22(25)20-5-3-4-6-21(20)24-28(26,27)19-13-9-17(2)10-14-19/h3-14,24H,15H2,1-2H3,(H,23,25)
InChIKeyQNSXJWMNSDXFJK-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.03
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 2979882) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID2979882
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-7-11-18(12-8-16)15-23-22(25)20-5-3-4-6-21(20)24-28(26,27)19-13-9-17(2)10-14-19/h3-14,24H,15H2,1-2H3,(H,23,25)
InChIKeyQNSXJWMNSDXFJK-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

N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 100558623
N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062457
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46546770
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 2979882) is N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is QNSXJWMNSDXFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-7-11-18(12-8-16)15-23-22(25)20-5-3-4-6-21(20)24-28(26,27)19-13-9-17(2)10-14-19/h3-14,24H,15H2,1-2H3,(H,23,25).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]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)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2979882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).