3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide

C14H22N2O3S — CID 27539196

IUPAC3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC(C)C)cc(C)c1C
InChIInChI=1S/C14H22N2O3S/c1-9(2)8-16-14(17)12-6-10(3)11(4)13(7-12)20(18,19)15-5/h6-7,9,15H,8H2,1-5H3,(H,16,17)
InChIKeyJVVOXRNBCZBOHX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.60
Rot. Bonds5

About 3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide

3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide (PubChem CID 27539196) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
PubChem CID27539196
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC(C)C)cc(C)c1C
InChIInChI=1S/C14H22N2O3S/c1-9(2)8-16-14(17)12-6-10(3)11(4)13(7-12)20(18,19)15-5/h6-7,9,15H,8H2,1-5H3,(H,16,17)
InChIKeyJVVOXRNBCZBOHX-UHFFFAOYSA-N
XLogP1.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 78856270
3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157
3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide
CID 32648511
3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
CID 17476236
N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27680670
3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51180585
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55666017
N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46520353
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46809468
2-methyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367998
N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27838680
3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 31001991

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide (CID 27539196) is 3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCC(C)C)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide?
The InChIKey is JVVOXRNBCZBOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(2)8-16-14(17)12-6-10(3)11(4)13(7-12)20(18,19)15-5/h6-7,9,15H,8H2,1-5H3,(H,16,17).
What are the key properties of 3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide?
3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide has a molecular weight of 298.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 27539196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).