N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide

C15H24N2O3S — CID 65379984

IUPACN-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide
SMILESCCc1ccc(C(=O)NCC(C)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-5-12-6-7-13(8-14(12)21(16,19)20)15(18)17-9-11(4)10(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyUCSDXTUCZIUVJD-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.92
Rot. Bonds6

About N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide

N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide (PubChem CID 65379984) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide
PubChem CID65379984
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide
SMILESCCc1ccc(C(=O)NCC(C)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-5-12-6-7-13(8-14(12)21(16,19)20)15(18)17-9-11(4)10(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyUCSDXTUCZIUVJD-UHFFFAOYSA-N
XLogP1.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65374609
5-(2,3-dimethylbutylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65398816
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
CID 64568397
4-methylpentan-2-yl 4-ethyl-3-sulfamoylbenzoate
CID 65382054
4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide
CID 102701176
N-(2,3-dimethylbutyl)-4-(propylamino)benzamide
CID 64581359
4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 65386263
3,5-diamino-N-(2,3-dimethylbutyl)benzamide
CID 64570999
5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
CID 82879168
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide?
The IUPAC name of N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide (CID 65379984) is N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide is CCc1ccc(C(=O)NCC(C)C(C)C)cc1S(N)(=O)=O.
What is the InChIKey of N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide?
The InChIKey is UCSDXTUCZIUVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-12-6-7-13(8-14(12)21(16,19)20)15(18)17-9-11(4)10(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide?
N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65379984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).