4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C22H24N4O4S2 — CID 43977165

About 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43977165) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43977165
• Molecular Formula: C22H24N4O4S2
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.12
• IUPAC Name: 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CSc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)o1
• InChI: InChI=1S/C22H24N4O4S2/c1-15-7-5-6-14-26(15)32(28,29)17-12-10-16(11-13-17)20(27)23-22-25-24-21(30-22)18-8-3-4-9-19(18)31-2/h3-4,8-13,15H,5-7,14H2,1-2H3,(H,23,25,27)
• InChIKey: LLNAWDRHALEZFZ-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43977165) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CSc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)o1.

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

The InChIKey is LLNAWDRHALEZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-15-7-5-6-14-26(15)32(28,29)17-12-10-16(11-13-17)20(27)23-22-25-24-21(30-22)18-8-3-4-9-19(18)31-2/h3-4,8-13,15H,5-7,14H2,1-2H3,(H,23,25,27).

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

4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 472.59 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43977165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).