2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

C20H22F3N3O6S — CID 4876490

IUPAC2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C20H22F3N3O6S/c1-2-31-19-15(4-3-7-24-19)18(27)25-16-12-14(5-6-17(16)32-13-20(21,22)23)33(28,29)26-8-10-30-11-9-26/h3-7,12H,2,8-11,13H2,1H3,(H,25,27)
InChIKeyHUTSMWRFGSQJFP-UHFFFAOYSA-N
MW489.47 g/mol
LogP2.69
Rot. Bonds8

About 2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 4876490) has the molecular formula C20H22F3N3O6S and a molecular weight of 489.47 g/mol. Its IUPAC name is 2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID4876490
Molecular FormulaC20H22F3N3O6S
Molecular Weight489.47 g/mol
Exact Mass489.12
IUPAC Name2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C20H22F3N3O6S/c1-2-31-19-15(4-3-7-24-19)18(27)25-16-12-14(5-6-17(16)32-13-20(21,22)23)33(28,29)26-8-10-30-11-9-26/h3-7,12H,2,8-11,13H2,1H3,(H,25,27)
InChIKeyHUTSMWRFGSQJFP-UHFFFAOYSA-N
XLogP2.69
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide 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-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (CID 4876490) is 2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F.
What is the InChIKey of 2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is HUTSMWRFGSQJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O6S/c1-2-31-19-15(4-3-7-24-19)18(27)25-16-12-14(5-6-17(16)32-13-20(21,22)23)33(28,29)26-8-10-30-11-9-26/h3-7,12H,2,8-11,13H2,1H3,(H,25,27).
What are the key properties of 2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 489.47 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 4876490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).