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

C24H26F7N3O3S — CID 58873361

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H26F7N3O3S/c1-14(15-4-6-20(19(25)11-15)33-38(2,36)37)22(35)32-13-16-3-5-18(24(29,30)31)12-21(16)34-9-7-17(8-10-34)23(26,27)28/h3-6,11-12,14,17,33H,7-10,13H2,1-2H3,(H,32,35)
InChIKeyGOLFMGJVINWTIM-UHFFFAOYSA-N
MW569.54 g/mol
LogP5.41
Rot. Bonds7

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

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide (PubChem CID 58873361) has the molecular formula C24H26F7N3O3S and a molecular weight of 569.54 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide
PubChem CID58873361
Molecular FormulaC24H26F7N3O3S
Molecular Weight569.54 g/mol
Exact Mass569.16
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H26F7N3O3S/c1-14(15-4-6-20(19(25)11-15)33-38(2,36)37)22(35)32-13-16-3-5-18(24(29,30)31)12-21(16)34-9-7-17(8-10-34)23(26,27)28/h3-6,11-12,14,17,33H,7-10,13H2,1-2H3,(H,32,35)
InChIKeyGOLFMGJVINWTIM-UHFFFAOYSA-N
XLogP5.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.54
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide (CID 58873361) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide?
The InChIKey is GOLFMGJVINWTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F7N3O3S/c1-14(15-4-6-20(19(25)11-15)33-38(2,36)37)22(35)32-13-16-3-5-18(24(29,30)31)12-21(16)34-9-7-17(8-10-34)23(26,27)28/h3-6,11-12,14,17,33H,7-10,13H2,1-2H3,(H,32,35).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide has a molecular weight of 569.54 g/mol, XLogP of 5.41, 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-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 58873361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).