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

C18H22N4O4S — CID 4140680

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

4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 4140680) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
• PubChem CID: 4140680
• Molecular Formula: C18H22N4O4S
• Molecular Weight: 390.47 g/mol
• Exact Mass: 390.14
• IUPAC Name: 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
• SMILES: COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc1
• InChI: InChI=1S/C18H22N4O4S/c1-25-14-7-5-13(6-8-14)17(24)19-11-15-20-21-18(26-15)27-12-16(23)22-9-3-2-4-10-22/h5-8H,2-4,9-12H2,1H3,(H,19,24)
• InChIKey: QRKQTYBQIHGZKD-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.47
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 4140680) is 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

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

The canonical SMILES for 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc1.

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

The InChIKey is QRKQTYBQIHGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-25-14-7-5-13(6-8-14)17(24)19-11-15-20-21-18(26-15)27-12-16(23)22-9-3-2-4-10-22/h5-8H,2-4,9-12H2,1H3,(H,19,24).

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

4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 390.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 4140680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).