2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide

C23H27N5O4S2 — CID 5079203

About 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide

2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide (PubChem CID 5079203) has the molecular formula C23H27N5O4S2 and a molecular weight of 501.63 g/mol. Its IUPAC name is 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide
• PubChem CID: 5079203
• Molecular Formula: C23H27N5O4S2
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.15
• IUPAC Name: 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide
• SMILES: CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3N3CCCCC3)o2)cc1
• InChI: InChI=1S/C23H27N5O4S2/c1-2-34(30,31)27-18-12-10-17(11-13-18)22-25-26-23(32-22)33-16-21(29)24-19-8-4-5-9-20(19)28-14-6-3-7-15-28/h4-5,8-13,27H,2-3,6-7,14-16H2,1H3,(H,24,29)
• InChIKey: IRTDADVAKHEDLR-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 117.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide?

The IUPAC name of 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide (CID 5079203) is 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide.

What is the SMILES notation for 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide?

The canonical SMILES for 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide is CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3N3CCCCC3)o2)cc1.

What is the InChIKey of 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide?

The InChIKey is IRTDADVAKHEDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S2/c1-2-34(30,31)27-18-12-10-17(11-13-18)22-25-26-23(32-22)33-16-21(29)24-19-8-4-5-9-20(19)28-14-6-3-7-15-28/h4-5,8-13,27H,2-3,6-7,14-16H2,1H3,(H,24,29).

What are the key properties of 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide?

2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide has a molecular weight of 501.63 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 5079203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).