4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide

C18H20N4O4S — CID 110320894

About 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide

4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110320894) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
• PubChem CID: 110320894
• Molecular Formula: C18H20N4O4S
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.12
• IUPAC Name: 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
• SMILES: COc1cc(C)c(S(=O)(=O)NCCc2nnc(-c3ccncc3)o2)cc1C
• InChI: InChI=1S/C18H20N4O4S/c1-12-11-16(13(2)10-15(12)25-3)27(23,24)20-9-6-17-21-22-18(26-17)14-4-7-19-8-5-14/h4-5,7-8,10-11,20H,6,9H2,1-3H3
• InChIKey: FLJFPDYHZGEPEW-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 107.21 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	388.45
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?

The IUPAC name of 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 110320894) is 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?

The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCc2nnc(-c3ccncc3)o2)cc1C.

What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?

The InChIKey is FLJFPDYHZGEPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-12-11-16(13(2)10-15(12)25-3)27(23,24)20-9-6-17-21-22-18(26-17)14-4-7-19-8-5-14/h4-5,7-8,10-11,20H,6,9H2,1-3H3.

What are the key properties of 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?

4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110320894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).