3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide

C21H24F3N3O5S — CID 55613196

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCc3cccnc3OCC(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C21H24F3N3O5S/c1-14-11-27(12-15(2)32-14)33(29,30)18-7-3-5-16(9-18)19(28)26-10-17-6-4-8-25-20(17)31-13-21(22,23)24/h3-9,14-15H,10-13H2,1-2H3,(H,26,28)
InChIKeyZLEQMIJRDBOAAF-UHFFFAOYSA-N
MW487.50 g/mol
LogP2.75
Rot. Bonds7

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 55613196) has the molecular formula C21H24F3N3O5S and a molecular weight of 487.50 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
PubChem CID55613196
Molecular FormulaC21H24F3N3O5S
Molecular Weight487.50 g/mol
Exact Mass487.14
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCc3cccnc3OCC(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C21H24F3N3O5S/c1-14-11-27(12-15(2)32-14)33(29,30)18-7-3-5-16(9-18)19(28)26-10-17-6-4-8-25-20(17)31-13-21(22,23)24/h3-9,14-15H,10-13H2,1-2H3,(H,26,28)
InChIKeyZLEQMIJRDBOAAF-UHFFFAOYSA-N
XLogP2.75
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide with MolForge

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Related Compounds

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3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
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N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide
CID 43002278
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3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide (CID 55613196) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)NCc3cccnc3OCC(F)(F)F)c2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is ZLEQMIJRDBOAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O5S/c1-14-11-27(12-15(2)32-14)33(29,30)18-7-3-5-16(9-18)19(28)26-10-17-6-4-8-25-20(17)31-13-21(22,23)24/h3-9,14-15H,10-13H2,1-2H3,(H,26,28).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 487.50 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55613196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).