N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

C23H26N4O6S — CID 55390848

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (PubChem CID 55390848) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
• PubChem CID: 55390848
• Molecular Formula: C23H26N4O6S
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.16
• IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
• SMILES: COc1ccc(NC(=O)COc2ccc(-c3noc(C)n3)cc2)cc1S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C23H26N4O6S/c1-16-24-23(26-33-16)17-6-9-19(10-7-17)32-15-22(28)25-18-8-11-20(31-2)21(14-18)34(29,30)27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,28)
• InChIKey: YIVLKZZPQQNTKV-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 123.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?

The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (CID 55390848) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.

What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?

The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is COc1ccc(NC(=O)COc2ccc(-c3noc(C)n3)cc2)cc1S(=O)(=O)N1CCCCC1.

What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?

The InChIKey is YIVLKZZPQQNTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-16-24-23(26-33-16)17-6-9-19(10-7-17)32-15-22(28)25-18-8-11-20(31-2)21(14-18)34(29,30)27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,28).

What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide has a molecular weight of 486.55 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is sourced from PubChem (CID 55390848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).