3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide

C25H23N3O6S — CID 50843876

About 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide

3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide (PubChem CID 50843876) has the molecular formula C25H23N3O6S and a molecular weight of 493.54 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
• PubChem CID: 50843876
• Molecular Formula: C25H23N3O6S
• Molecular Weight: 493.54 g/mol
• Exact Mass: 493.13
• IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
• SMILES: COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1
• InChI: InChI=1S/C25H23N3O6S/c1-32-20-11-13-22(14-12-20)35(30,31)16-15-23(29)26-19-7-9-21(10-8-19)33-17-24-27-28-25(34-24)18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H,26,29)
• InChIKey: VOKPQVCOAQJWPJ-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 120.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.54
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide?

The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide (CID 50843876) is 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide.

What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide?

The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide?

The InChIKey is VOKPQVCOAQJWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6S/c1-32-20-11-13-22(14-12-20)35(30,31)16-15-23(29)26-19-7-9-21(10-8-19)33-17-24-27-28-25(34-24)18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H,26,29).

What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide?

3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide has a molecular weight of 493.54 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide is sourced from PubChem (CID 50843876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).