N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide

C20H26N2O3S — CID 109061283

IUPACN-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC(C)C)cc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-14(2)11-12-21-26(24,25)18-8-6-17(7-9-18)20(23)22-19-10-5-15(3)13-16(19)4/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23)
InChIKeyNVOSVGDVPCJRHM-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.88
Rot. Bonds7

About N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide

N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide (PubChem CID 109061283) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
PubChem CID109061283
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC(C)C)cc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-14(2)11-12-21-26(24,25)18-8-6-17(7-9-18)20(23)22-19-10-5-15(3)13-16(19)4/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23)
InChIKeyNVOSVGDVPCJRHM-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061303
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061292
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
CID 109061117
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058971
N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061299
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 46529163

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide (CID 109061283) is N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC(C)C)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is NVOSVGDVPCJRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)11-12-21-26(24,25)18-8-6-17(7-9-18)20(23)22-19-10-5-15(3)13-16(19)4/h5-10,13-14,21H,11-12H2,1-4H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 109061283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).