N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide

C22H22N2O4S — CID 9107189

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1C
InChIInChI=1S/C22H22N2O4S/c1-16-8-11-19(14-21(16)29(26,27)23-2)24-22(25)18-9-12-20(13-10-18)28-15-17-6-4-3-5-7-17/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyZQKSTUYOFJYHMZ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.73
Rot. Bonds7

About N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide (PubChem CID 9107189) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide
PubChem CID9107189
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1C
InChIInChI=1S/C22H22N2O4S/c1-16-8-11-19(14-21(16)29(26,27)23-2)24-22(25)18-9-12-20(13-10-18)28-15-17-6-4-3-5-7-17/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyZQKSTUYOFJYHMZ-UHFFFAOYSA-N
XLogP3.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9479404
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(2-methylpropyl)benzamide
CID 9107411
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190067
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide
CID 30860385

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide (CID 9107189) is N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide is CNS(=O)(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide?
The InChIKey is ZQKSTUYOFJYHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16-8-11-19(14-21(16)29(26,27)23-2)24-22(25)18-9-12-20(13-10-18)28-15-17-6-4-3-5-7-17/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide has a molecular weight of 410.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 9107189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).