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

C22H26N4O4S2 — CID 43974066

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

4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43974066) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43974066
• Molecular Formula: C22H26N4O4S2
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.14
• IUPAC Name: 4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(SC)cc3)o2)cc1
• InChI: InChI=1S/C22H26N4O4S2/c1-4-5-14-26(2)32(28,29)19-12-8-17(9-13-19)21(27)23-22-25-24-20(30-22)15-16-6-10-18(31-3)11-7-16/h6-13H,4-5,14-15H2,1-3H3,(H,23,25,27)
• InChIKey: FAKKYFFBFPWCAS-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43974066) is 4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(SC)cc3)o2)cc1.

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

The InChIKey is FAKKYFFBFPWCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-4-5-14-26(2)32(28,29)19-12-8-17(9-13-19)21(27)23-22-25-24-20(30-22)15-16-6-10-18(31-3)11-7-16/h6-13H,4-5,14-15H2,1-3H3,(H,23,25,27).

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

4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 474.61 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43974066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).