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

C23H26N4O5S — CID 16591828

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

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 16591828) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
• PubChem CID: 16591828
• Molecular Formula: C23H26N4O5S
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.16
• IUPAC Name: 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
• SMILES: Cc1nc(COc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)no1
• InChI: InChI=1S/C23H26N4O5S/c1-16-10-11-18(33(29,30)27-12-6-3-7-13-27)14-20(16)25-23(28)19-8-4-5-9-21(19)31-15-22-24-17(2)32-26-22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,25,28)
• InChIKey: AEYJDEWGTGJMIU-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 16591828) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.

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

The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is Cc1nc(COc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)no1.

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

The InChIKey is AEYJDEWGTGJMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-16-10-11-18(33(29,30)27-12-6-3-7-13-27)14-20(16)25-23(28)19-8-4-5-9-21(19)31-15-22-24-17(2)32-26-22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,25,28).

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

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 470.55 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 16591828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).