N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide

C14H22N2O3S — CID 49416341

IUPACN-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide
SMILESCCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-10-14(2,3)16-13(17)11-6-8-12(9-7-11)20(18,19)15-4/h6-9,15H,5,10H2,1-4H3,(H,16,17)
InChIKeyIZJAEGXXWQTMGT-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.90
Rot. Bonds6

About N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide

N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide (PubChem CID 49416341) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide
PubChem CID49416341
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide
SMILESCCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-10-14(2,3)16-13(17)11-6-8-12(9-7-11)20(18,19)15-4/h6-9,15H,5,10H2,1-4H3,(H,16,17)
InChIKeyIZJAEGXXWQTMGT-UHFFFAOYSA-N
XLogP1.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119204037
4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 49460708
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119572841
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
CID 94621798
4-(methylamino)-N-(2-methylpentan-2-yl)-3-nitrobenzamide
CID 49416436
4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119203959
4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 18166012
N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189146
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
4-(methylsulfamoyl)benzamide
CID 43241290
4-acetyl-N-[4-[2-[4-(methylsulfamoyl)phenyl]propan-2-yl]phenyl]sulfonylbenzamide
CID 59994942

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide (CID 49416341) is N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide is CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide?
The InChIKey is IZJAEGXXWQTMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-10-14(2,3)16-13(17)11-6-8-12(9-7-11)20(18,19)15-4/h6-9,15H,5,10H2,1-4H3,(H,16,17).
What are the key properties of N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide?
N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide has a molecular weight of 298.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 49416341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).