N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

C24H26N2O3S — CID 7920184

IUPACN-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C24H26N2O3S/c1-24(2,3)21-12-8-9-13-22(21)25-23(27)18-14-16-20(17-15-18)30(28,29)26(4)19-10-6-5-7-11-19/h5-17H,1-4H3,(H,25,27)
InChIKeyGLIFNKSPTANLMH-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.06
Rot. Bonds5

About N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 7920184) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID7920184
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C24H26N2O3S/c1-24(2,3)21-12-8-9-13-22(21)25-23(27)18-14-16-20(17-15-18)30(28,29)26(4)19-10-6-5-7-11-19/h5-17H,1-4H3,(H,25,27)
InChIKeyGLIFNKSPTANLMH-UHFFFAOYSA-N
XLogP5.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 55413423
4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2474371
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide
CID 126140576
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide
CID 17201011
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55613605

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 7920184) is N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is GLIFNKSPTANLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-24(2,3)21-12-8-9-13-22(21)25-23(27)18-14-16-20(17-15-18)30(28,29)26(4)19-10-6-5-7-11-19/h5-17H,1-4H3,(H,25,27).
What are the key properties of N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 422.55 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 7920184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).