5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide

C24H26F4N2O4S — CID 118110688

IUPAC5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccccc3C(F)(F)F)CC2)cc1F
InChIInChI=1S/C24H26F4N2O4S/c1-35(32,33)29-23(31)19-13-18(15-6-7-15)16(12-21(19)25)14-30-10-8-17(9-11-30)34-22-5-3-2-4-20(22)24(26,27)28/h2-5,12-13,15,17H,6-11,14H2,1H3,(H,29,31)
InChIKeyOYOLAYVEEXZEHC-UHFFFAOYSA-N
MW514.54 g/mol
LogP4.45
Rot. Bonds7

About 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide

5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide (PubChem CID 118110688) has the molecular formula C24H26F4N2O4S and a molecular weight of 514.54 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
PubChem CID118110688
Molecular FormulaC24H26F4N2O4S
Molecular Weight514.54 g/mol
Exact Mass514.15
IUPAC Name5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccccc3C(F)(F)F)CC2)cc1F
InChIInChI=1S/C24H26F4N2O4S/c1-35(32,33)29-23(31)19-13-18(15-6-7-15)16(12-21(19)25)14-30-10-8-17(9-11-30)34-22-5-3-2-4-20(22)24(26,27)28/h2-5,12-13,15,17H,6-11,14H2,1H3,(H,29,31)
InChIKeyOYOLAYVEEXZEHC-UHFFFAOYSA-N
XLogP4.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide 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 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide (CID 118110688) is 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(Oc3ccccc3C(F)(F)F)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
The InChIKey is OYOLAYVEEXZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N2O4S/c1-35(32,33)29-23(31)19-13-18(15-6-7-15)16(12-21(19)25)14-30-10-8-17(9-11-30)34-22-5-3-2-4-20(22)24(26,27)28/h2-5,12-13,15,17H,6-11,14H2,1H3,(H,29,31).
What are the key properties of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide?
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide has a molecular weight of 514.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 118110688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).