N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide

C15H14F3N3O3S — CID 78872024

IUPACN-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)9-24-13-4-3-10(7-20-13)6-19-12(22)8-21-14(23)11-2-1-5-25-11/h1-5,7H,6,8-9H2,(H,19,22)(H,21,23)
InChIKeyHIMUFRVWILAYOS-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.13
Rot. Bonds7

About N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide (PubChem CID 78872024) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide
PubChem CID78872024
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC NameN-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H14F3N3O3S/c16-15(17,18)9-24-13-4-3-10(7-20-13)6-19-12(22)8-21-14(23)11-2-1-5-25-11/h1-5,7H,6,8-9H2,(H,19,22)(H,21,23)
InChIKeyHIMUFRVWILAYOS-UHFFFAOYSA-N
XLogP2.13
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-oxo-2-[4-(2,2,2-trifluoroethoxy)anilino]ethyl]thiophene-2-carboxamide
CID 134010399
N-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 42008667
N-[3-(thiophene-2-carbonylamino)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55515776
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18154158
(4-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158551
3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 174836820
N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 110909020
2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171928236
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 8942076
1-(thiophen-2-ylmethyl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiourea
CID 71893810
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 8589532
5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 162562842

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide (CID 78872024) is N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NCc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is HIMUFRVWILAYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c16-15(17,18)9-24-13-4-3-10(7-20-13)6-19-12(22)8-21-14(23)11-2-1-5-25-11/h1-5,7H,6,8-9H2,(H,19,22)(H,21,23).
What are the key properties of N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 78872024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).