2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C25H25F4N3O4S — CID 58873642

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 58873642) has the molecular formula C25H25F4N3O4S and a molecular weight of 539.55 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

• Compound Name: 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
• PubChem CID: 58873642
• Molecular Formula: C25H25F4N3O4S
• Molecular Weight: 539.55 g/mol
• Exact Mass: 539.15
• IUPAC Name: 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
• SMILES: CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
• InChI: InChI=1S/C25H25F4N3O4S/c1-16(18-8-10-21(20(26)14-18)32-37(2,34)35)23(33)30-15-19-9-11-22(25(27,28)29)31-24(19)36-13-12-17-6-4-3-5-7-17/h3-11,14,16,32H,12-13,15H2,1-2H3,(H,30,33)
• InChIKey: XNFPWYWMCYIYGM-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.55
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?

The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 58873642) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?

The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)nc1OCCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1.

What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?

The InChIKey is XNFPWYWMCYIYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N3O4S/c1-16(18-8-10-21(20(26)14-18)32-37(2,34)35)23(33)30-15-19-9-11-22(25(27,28)29)31-24(19)36-13-12-17-6-4-3-5-7-17/h3-11,14,16,32H,12-13,15H2,1-2H3,(H,30,33).

What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 539.55 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 58873642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).