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

C25H23N3O5S — CID 50844096

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

3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide (PubChem CID 50844096) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
• PubChem CID: 50844096
• Molecular Formula: C25H23N3O5S
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.14
• IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
• SMILES: Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1
• InChI: InChI=1S/C25H23N3O5S/c1-18-7-13-22(14-8-18)34(30,31)16-15-23(29)26-20-9-11-21(12-10-20)32-17-24-27-28-25(33-24)19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,26,29)
• InChIKey: ISUXEGXQZQBGAK-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 111.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide (CID 50844096) is 3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide.

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

The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1.

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

The InChIKey is ISUXEGXQZQBGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-18-7-13-22(14-8-18)34(30,31)16-15-23(29)26-20-9-11-21(12-10-20)32-17-24-27-28-25(33-24)19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,26,29).

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

3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide has a molecular weight of 477.54 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide is sourced from PubChem (CID 50844096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).