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

C13H20N2O4S — CID 78856270

IUPACN-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC(C)O)cc(C)c1C
InChIInChI=1S/C13H20N2O4S/c1-8-5-11(13(17)15-7-9(2)16)6-12(10(8)3)20(18,19)14-4/h5-6,9,14,16H,7H2,1-4H3,(H,15,17)
InChIKeyWJAREFZUIWCREO-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.32
Rot. Bonds5

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

N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 78856270) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID78856270
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC(C)O)cc(C)c1C
InChIInChI=1S/C13H20N2O4S/c1-8-5-11(13(17)15-7-9(2)16)6-12(10(8)3)20(18,19)14-4/h5-6,9,14,16H,7H2,1-4H3,(H,15,17)
InChIKeyWJAREFZUIWCREO-UHFFFAOYSA-N
XLogP0.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
CID 27539196
3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157
3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
CID 17476236
3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide
CID 32648511
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
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
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 47026743

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 78856270) is N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCC(C)O)cc(C)c1C.
What is the InChIKey of N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is WJAREFZUIWCREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-8-5-11(13(17)15-7-9(2)16)6-12(10(8)3)20(18,19)14-4/h5-6,9,14,16H,7H2,1-4H3,(H,15,17).
What are the key properties of N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 78856270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).