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

C19H18FN3O4S — CID 43973273

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

3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 43973273) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 43973273
• Molecular Formula: C19H18FN3O4S
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.10
• IUPAC Name: 3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: Cc1ccc(Cc2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)cc1
• InChI: InChI=1S/C19H18FN3O4S/c1-13-2-4-14(5-3-13)12-18-22-23-19(27-18)21-17(24)10-11-28(25,26)16-8-6-15(20)7-9-16/h2-9H,10-12H2,1H3,(H,21,23,24)
• InChIKey: SIBZCKLWSJSIHG-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 102.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 43973273) is 3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.

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

The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(Cc2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)cc1.

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

The InChIKey is SIBZCKLWSJSIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-13-2-4-14(5-3-13)12-18-22-23-19(27-18)21-17(24)10-11-28(25,26)16-8-6-15(20)7-9-16/h2-9H,10-12H2,1H3,(H,21,23,24).

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

3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 403.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 43973273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).