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

C24H30N4O4S2 — CID 41027946

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

4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 41027946) has the molecular formula C24H30N4O4S2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 41027946
• Molecular Formula: C24H30N4O4S2
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.17
• IUPAC Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CSc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1
• InChI: InChI=1S/C24H30N4O4S2/c1-16(2)14-28(15-17(3)4)34(30,31)19-12-10-18(11-13-19)22(29)25-24-27-26-23(32-24)20-8-6-7-9-21(20)33-5/h6-13,16-17H,14-15H2,1-5H3,(H,25,27,29)
• InChIKey: JHXJSEIYLANAAN-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 41027946) is 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CSc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1.

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

The InChIKey is JHXJSEIYLANAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S2/c1-16(2)14-28(15-17(3)4)34(30,31)19-12-10-18(11-13-19)22(29)25-24-27-26-23(32-24)20-8-6-7-9-21(20)33-5/h6-13,16-17H,14-15H2,1-5H3,(H,25,27,29).

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

4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 502.66 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 41027946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).