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

C23H26N4O6S2 — CID 43977195

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

4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43977195) has the molecular formula C23H26N4O6S2 and a molecular weight of 518.62 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43977195
• Molecular Formula: C23H26N4O6S2
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.13
• IUPAC Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1
• InChI: InChI=1S/C23H26N4O6S2/c1-3-17-8-6-7-15-27(17)35(31,32)18-13-11-16(12-14-18)21(28)24-23-26-25-22(33-23)19-9-4-5-10-20(19)34(2,29)30/h4-5,9-14,17H,3,6-8,15H2,1-2H3,(H,24,26,28)
• InChIKey: SNXVVQBQPZCYJP-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 139.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43977195) is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1.

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

The InChIKey is SNXVVQBQPZCYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S2/c1-3-17-8-6-7-15-27(17)35(31,32)18-13-11-16(12-14-18)21(28)24-23-26-25-22(33-23)19-9-4-5-10-20(19)34(2,29)30/h4-5,9-14,17H,3,6-8,15H2,1-2H3,(H,24,26,28).

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

4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 518.62 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43977195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).