2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide

C13H11F3N2O2S — CID 31953029

IUPAC2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCc1cccs1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)10-4-1-5-18(12(10)20)8-11(19)17-7-9-3-2-6-21-9/h1-6H,7-8H2,(H,17,19)
InChIKeyGPYBIADBWZWMFT-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.24
Rot. Bonds4

About 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 31953029) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID31953029
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCc1cccs1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)10-4-1-5-18(12(10)20)8-11(19)17-7-9-3-2-6-21-9/h1-6H,7-8H2,(H,17,19)
InChIKeyGPYBIADBWZWMFT-UHFFFAOYSA-N
XLogP2.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide (CID 31953029) is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1cccs1.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GPYBIADBWZWMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-13(15,16)10-4-1-5-18(12(10)20)8-11(19)17-7-9-3-2-6-21-9/h1-6H,7-8H2,(H,17,19).
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 316.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 31953029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).