3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide

C13H20N2O3S — CID 27648157

IUPAC3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(C)C)cc(C)c1C
InChIInChI=1S/C13H20N2O3S/c1-8(2)15-13(16)11-6-9(3)10(4)12(7-11)19(17,18)14-5/h6-8,14H,1-5H3,(H,15,16)
InChIKeyJWYYYFMJZSPZKU-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.35
Rot. Bonds4

About 3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide

3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide (PubChem CID 27648157) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
PubChem CID27648157
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(C)C)cc(C)c1C
InChIInChI=1S/C13H20N2O3S/c1-8(2)15-13(16)11-6-9(3)10(4)12(7-11)19(17,18)14-5/h6-8,14H,1-5H3,(H,15,16)
InChIKeyJWYYYFMJZSPZKU-UHFFFAOYSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide
CID 32648511
3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
CID 27539196
3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 31001991
N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 17472832
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 26001159
N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 78856270
N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46520353
N-[1-(1-adamantyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46560476
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 56581124
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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide (CID 27648157) is 3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide is CNS(=O)(=O)c1cc(C(=O)NC(C)C)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide?
The InChIKey is JWYYYFMJZSPZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-8(2)15-13(16)11-6-9(3)10(4)12(7-11)19(17,18)14-5/h6-8,14H,1-5H3,(H,15,16).
What are the key properties of 3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide?
3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 27648157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).