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

C22H22N2O4S — CID 1312611

IUPACN-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16-8-14-19(15-9-16)29(26,27)24(2)18-12-10-17(11-13-18)22(25)23-20-6-4-5-7-21(20)28-3/h4-15H,1-3H3,(H,23,25)
InChIKeyZTQNEPPTBXVHTL-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.08
Rot. Bonds6

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

N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 1312611) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID1312611
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16-8-14-19(15-9-16)29(26,27)24(2)18-12-10-17(11-13-18)22(25)23-20-6-4-5-7-21(20)28-3/h4-15H,1-3H3,(H,23,25)
InChIKeyZTQNEPPTBXVHTL-UHFFFAOYSA-N
XLogP4.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525403
N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652
N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55613605
4-[benzenesulfonyl(methyl)amino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1278404
N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26180986
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2984505

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 1312611) is N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is COc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ZTQNEPPTBXVHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16-8-14-19(15-9-16)29(26,27)24(2)18-12-10-17(11-13-18)22(25)23-20-6-4-5-7-21(20)28-3/h4-15H,1-3H3,(H,23,25).
What are the key properties of N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 410.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 1312611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).