4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C25H32N4O4S — CID 43976701

About 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43976701) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43976701
• Molecular Formula: C25H32N4O4S
• Molecular Weight: 484.62 g/mol
• Exact Mass: 484.21
• IUPAC Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: Cc1cc(C)cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)o2)c1
• InChI: InChI=1S/C25H32N4O4S/c1-16(2)14-29(15-17(3)4)34(31,32)22-9-7-20(8-10-22)23(30)26-25-28-27-24(33-25)21-12-18(5)11-19(6)13-21/h7-13,16-17H,14-15H2,1-6H3,(H,26,28,30)
• InChIKey: WUIMHBMMZCHOKV-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.62
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43976701) is 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cc(C)cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)o2)c1.

What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is WUIMHBMMZCHOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-16(2)14-29(15-17(3)4)34(31,32)22-9-7-20(8-10-22)23(30)26-25-28-27-24(33-25)21-12-18(5)11-19(6)13-21/h7-13,16-17H,14-15H2,1-6H3,(H,26,28,30).

What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 484.62 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43976701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).