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

C25H24F5N3O3S — CID 58873286

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C25H24F5N3O3S/c1-15(17-6-11-22(20(27)13-17)33-37(2,35)36)24(34)31-14-18-7-12-23(25(28,29)30)32-21(18)10-5-16-3-8-19(26)9-4-16/h3-4,6-9,11-13,15,33H,5,10,14H2,1-2H3,(H,31,34)
InChIKeyWUWWDKOTAMMDBG-UHFFFAOYSA-N
MW541.54 g/mol
LogP4.96
Rot. Bonds9

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

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 58873286) has the molecular formula C25H24F5N3O3S and a molecular weight of 541.54 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID58873286
Molecular FormulaC25H24F5N3O3S
Molecular Weight541.54 g/mol
Exact Mass541.15
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C25H24F5N3O3S/c1-15(17-6-11-22(20(27)13-17)33-37(2,35)36)24(34)31-14-18-7-12-23(25(28,29)30)32-21(18)10-5-16-3-8-19(26)9-4-16/h3-4,6-9,11-13,15,33H,5,10,14H2,1-2H3,(H,31,34)
InChIKeyWUWWDKOTAMMDBG-UHFFFAOYSA-N
XLogP4.96
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 58873286) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is WUWWDKOTAMMDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F5N3O3S/c1-15(17-6-11-22(20(27)13-17)33-37(2,35)36)24(34)31-14-18-7-12-23(25(28,29)30)32-21(18)10-5-16-3-8-19(26)9-4-16/h3-4,6-9,11-13,15,33H,5,10,14H2,1-2H3,(H,31,34).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 541.54 g/mol, XLogP of 4.96, 9 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-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 58873286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).