3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide

C14H13F3N2O2S — CID 39503671

IUPAC3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O2S/c1-9-3-5-22-12(9)13(20)19-7-10-2-4-18-11(6-10)21-8-14(15,16)17/h2-6H,7-8H2,1H3,(H,19,20)
InChIKeyUOSNELCMHPNYMT-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.32
Rot. Bonds5

About 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide

3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide (PubChem CID 39503671) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide
PubChem CID39503671
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O2S/c1-9-3-5-22-12(9)13(20)19-7-10-2-4-18-11(6-10)21-8-14(15,16)17/h2-6H,7-8H2,1H3,(H,19,20)
InChIKeyUOSNELCMHPNYMT-UHFFFAOYSA-N
XLogP3.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide (CID 39503671) is 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide?
The InChIKey is UOSNELCMHPNYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-9-3-5-22-12(9)13(20)19-7-10-2-4-18-11(6-10)21-8-14(15,16)17/h2-6H,7-8H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide?
3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 39503671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).