2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide

C23H27F4N3O3S — CID 67438297

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 67438297) has the molecular formula C23H27F4N3O3S and a molecular weight of 501.55 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide
• PubChem CID: 67438297
• Molecular Formula: C23H27F4N3O3S
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.17
• IUPAC Name: 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide
• SMILES: CC(C(=O)NC(c1ccc(C(F)(F)F)cc1)N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1
• InChI: InChI=1S/C23H27F4N3O3S/c1-15(17-8-11-20(19(24)14-17)29-34(2,32)33)22(31)28-21(30-12-4-3-5-13-30)16-6-9-18(10-7-16)23(25,26)27/h6-11,14-15,21,29H,3-5,12-13H2,1-2H3,(H,28,31)
• InChIKey: WUFZLTNPCWQYQK-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide?

The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 67438297) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide.

What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide?

The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide is CC(C(=O)NC(c1ccc(C(F)(F)F)cc1)N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1.

What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide?

The InChIKey is WUFZLTNPCWQYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F4N3O3S/c1-15(17-8-11-20(19(24)14-17)29-34(2,32)33)22(31)28-21(30-12-4-3-5-13-30)16-6-9-18(10-7-16)23(25,26)27/h6-11,14-15,21,29H,3-5,12-13H2,1-2H3,(H,28,31).

What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide?

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 501.55 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 67438297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).