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

C25H30N4O4S — CID 43974341

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

4-[cyclohexyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43974341) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43974341
• Molecular Formula: C25H30N4O4S
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.20
• IUPAC Name: 4-[cyclohexyl(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)C4CCCCC4)cc3)o2)cc1C
• InChI: InChI=1S/C25H30N4O4S/c1-17-9-10-19(15-18(17)2)16-23-27-28-25(33-23)26-24(30)20-11-13-22(14-12-20)34(31,32)29(3)21-7-5-4-6-8-21/h9-15,21H,4-8,16H2,1-3H3,(H,26,28,30)
• InChIKey: QYZSXHUFBZGQSB-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43974341) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-[cyclohexyl(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)C4CCCCC4)cc3)o2)cc1C.

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

The InChIKey is QYZSXHUFBZGQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-17-9-10-19(15-18(17)2)16-23-27-28-25(33-23)26-24(30)20-11-13-22(14-12-20)34(31,32)29(3)21-7-5-4-6-8-21/h9-15,21H,4-8,16H2,1-3H3,(H,26,28,30).

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

4-[cyclohexyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 482.61 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43974341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).