5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide

C22H18F4N2O5S — CID 71612521

IUPAC5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide
SMILESCCOc1ncccc1-c1cc(C(=O)NS(C)(=O)=O)c(F)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F4N2O5S/c1-3-32-21-15(5-4-10-27-21)16-11-17(20(29)28-34(2,30)31)18(23)12-19(16)33-14-8-6-13(7-9-14)22(24,25)26/h4-12H,3H2,1-2H3,(H,28,29)
InChIKeyZIYLZCZHMPDQMB-UHFFFAOYSA-N
MW498.45 g/mol
LogP4.79
Rot. Bonds7

About 5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide

5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide (PubChem CID 71612521) has the molecular formula C22H18F4N2O5S and a molecular weight of 498.45 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide
PubChem CID71612521
Molecular FormulaC22H18F4N2O5S
Molecular Weight498.45 g/mol
Exact Mass498.09
IUPAC Name5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide
SMILESCCOc1ncccc1-c1cc(C(=O)NS(C)(=O)=O)c(F)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F4N2O5S/c1-3-32-21-15(5-4-10-27-21)16-11-17(20(29)28-34(2,30)31)18(23)12-19(16)33-14-8-6-13(7-9-14)22(24,25)26/h4-12H,3H2,1-2H3,(H,28,29)
InChIKeyZIYLZCZHMPDQMB-UHFFFAOYSA-N
XLogP4.79
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-N-methylsulfonyl-5-(2-propoxy-3-pyridinyl)benzamide
CID 71610529
4-[3-chloro-4-(trifluoromethoxy)phenoxy]-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide
CID 71610667
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
CID 58042409
2-ethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carbohydrazide
CID 2417273
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide
CID 145132006
5-chloro-2-fluoro-N-methylsulfonyl-4-[3-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 135357087
4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid
CID 66667694
2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide
CID 146154870
N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide
CID 75398752

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide (CID 71612521) is 5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide is CCOc1ncccc1-c1cc(C(=O)NS(C)(=O)=O)c(F)cc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is ZIYLZCZHMPDQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N2O5S/c1-3-32-21-15(5-4-10-27-21)16-11-17(20(29)28-34(2,30)31)18(23)12-19(16)33-14-8-6-13(7-9-14)22(24,25)26/h4-12H,3H2,1-2H3,(H,28,29).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide?
5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 498.45 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 71612521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).