[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate

C15H13F3N2O3S — CID 42939904

IUPAC[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCC(OC(=O)c1ccc(C(F)(F)F)cn1)C(=O)NCc1cccs1
InChIInChI=1S/C15H13F3N2O3S/c1-9(13(21)20-8-11-3-2-6-24-11)23-14(22)12-5-4-10(7-19-12)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyFIPTYKHLWOUJOJ-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.02
Rot. Bonds5

About [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate

[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 42939904) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID42939904
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCC(OC(=O)c1ccc(C(F)(F)F)cn1)C(=O)NCc1cccs1
InChIInChI=1S/C15H13F3N2O3S/c1-9(13(21)20-8-11-3-2-6-24-11)23-14(22)12-5-4-10(7-19-12)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyFIPTYKHLWOUJOJ-UHFFFAOYSA-N
XLogP3.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate (CID 42939904) is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate is CC(OC(=O)c1ccc(C(F)(F)F)cn1)C(=O)NCc1cccs1.
What is the InChIKey of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is FIPTYKHLWOUJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-9(13(21)20-8-11-3-2-6-24-11)23-14(22)12-5-4-10(7-19-12)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21).
What are the key properties of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate?
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 358.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 42939904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).