4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide

C19H24N6O4S — CID 25283215

About 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 25283215) has the molecular formula C19H24N6O4S and a molecular weight of 432.51 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 25283215
• Molecular Formula: C19H24N6O4S
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.16
• IUPAC Name: 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1
• InChI: InChI=1S/C19H24N6O4S/c1-5-6-11-24(3)30(27,28)15-9-7-14(8-10-15)17(26)20-19-22-21-18(29-19)16-12-13(2)25(4)23-16/h7-10,12H,5-6,11H2,1-4H3,(H,20,22,26)
• InChIKey: PVINACDCJOXYQX-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 123.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 25283215) is 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1.

What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is PVINACDCJOXYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S/c1-5-6-11-24(3)30(27,28)15-9-7-14(8-10-15)17(26)20-19-22-21-18(29-19)16-12-13(2)25(4)23-16/h7-10,12H,5-6,11H2,1-4H3,(H,20,22,26).

What are the key properties of 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide?

4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 432.51 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 25283215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).