3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide

C19H18N4O4S — CID 50778913

IUPAC3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1
InChIInChI=1S/C19H18N4O4S/c20-28(25,26)16-9-7-15(8-10-16)21-18(24)14-6-2-5-13(11-14)17-22-19(27-23-17)12-3-1-4-12/h2,5-12H,1,3-4H2,(H,21,24)(H2,20,25,26)
InChIKeyJGEYIYHPULRYCK-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.90
Rot. Bonds5

About 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide

3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide (PubChem CID 50778913) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide
PubChem CID50778913
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1
InChIInChI=1S/C19H18N4O4S/c20-28(25,26)16-9-7-15(8-10-16)21-18(24)14-6-2-5-13(11-14)17-22-19(27-23-17)12-3-1-4-12/h2,5-12H,1,3-4H2,(H,21,24)(H2,20,25,26)
InChIKeyJGEYIYHPULRYCK-UHFFFAOYSA-N
XLogP2.90
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide (CID 50778913) is 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1.
What is the InChIKey of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is JGEYIYHPULRYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c20-28(25,26)16-9-7-15(8-10-16)21-18(24)14-6-2-5-13(11-14)17-22-19(27-23-17)12-3-1-4-12/h2,5-12H,1,3-4H2,(H,21,24)(H2,20,25,26).
What are the key properties of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide?
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 398.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 50778913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).