N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide

C22H22N2O3S — CID 26536520

IUPACN-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-12-14-20(15-13-17)24(3)28(26,27)21-11-7-8-18(16-21)22(25)23(2)19-9-5-4-6-10-19/h4-16H,1-3H3
InChIKeyIMYXMUPVGSOFCO-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.10
Rot. Bonds5

About N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide

N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide (PubChem CID 26536520) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
PubChem CID26536520
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-12-14-20(15-13-17)24(3)28(26,27)21-11-7-8-18(16-21)22(25)23(2)19-9-5-4-6-10-19/h4-16H,1-3H3
InChIKeyIMYXMUPVGSOFCO-UHFFFAOYSA-N
XLogP4.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 42970514
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 32698494
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-[2-(dimethylamino)-2-oxoethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9480630
N-[(2-chlorophenyl)methyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26731966
N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 70685342
3-[(3,5-dimethylphenyl)-methylsulfamoyl]benzoic acid
CID 56797687
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26665113

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide?
The IUPAC name of N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide (CID 26536520) is N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide?
The canonical SMILES for N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide?
The InChIKey is IMYXMUPVGSOFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-17-12-14-20(15-13-17)24(3)28(26,27)21-11-7-8-18(16-21)22(25)23(2)19-9-5-4-6-10-19/h4-16H,1-3H3.
What are the key properties of N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide?
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide is sourced from PubChem (CID 26536520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).