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

C26H26N4O4S — CID 43974342

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

4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43974342) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43974342
• Molecular Formula: C26H26N4O4S
• Molecular Weight: 490.59 g/mol
• Exact Mass: 490.17
• IUPAC Name: 4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: Cc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)o2)cc1C
• InChI: InChI=1S/C26H26N4O4S/c1-18-9-10-21(15-19(18)2)16-24-28-29-26(34-24)27-25(31)22-11-13-23(14-12-22)35(32,33)30(3)17-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,27,29,31)
• InChIKey: VAPKLLMSJLILTK-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.59
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43974342) is 4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)o2)cc1C.

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

The InChIKey is VAPKLLMSJLILTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-18-9-10-21(15-19(18)2)16-24-28-29-26(34-24)27-25(31)22-11-13-23(14-12-22)35(32,33)30(3)17-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,27,29,31).

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

4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 490.59 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43974342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).