3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide

C15H24N2O3S — CID 115643625

IUPAC3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide
SMILESCCCC(C)(C)NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-6-7-15(4,5)17-14(18)12-8-10(2)11(3)13(9-12)21(16,19)20/h8-9H,6-7H2,1-5H3,(H,17,18)(H2,16,19,20)
InChIKeyRZXRQIJCWQYNHH-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.26
Rot. Bonds5

About 3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide

3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide (PubChem CID 115643625) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide
PubChem CID115643625
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide
SMILESCCCC(C)(C)NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-6-7-15(4,5)17-14(18)12-8-10(2)11(3)13(9-12)21(16,19)20/h8-9H,6-7H2,1-5H3,(H,17,18)(H2,16,19,20)
InChIKeyRZXRQIJCWQYNHH-UHFFFAOYSA-N
XLogP2.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 60656146
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119608396
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119575326
3-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119177471
5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid
CID 119235149
3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide
CID 166201010
7-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]heptanoic acid
CID 119227574
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide
CID 49416341
3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride
CID 119763292
2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 62922364

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide (CID 115643625) is 3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide is CCCC(C)(C)NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is RZXRQIJCWQYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-7-15(4,5)17-14(18)12-8-10(2)11(3)13(9-12)21(16,19)20/h8-9H,6-7H2,1-5H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide?
3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.26, 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-methylpentan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 115643625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).