4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide

C19H15F3N2O2S — CID 1486044

IUPAC4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)15-7-8-17(25)24(12-15)11-13-3-5-14(6-4-13)18(26)23-10-16-2-1-9-27-16/h1-9,12H,10-11H2,(H,23,26)
InChIKeyZTOOZUHAZKKNBG-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.91
Rot. Bonds5

About 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide

4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 1486044) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID1486044
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)15-7-8-17(25)24(12-15)11-13-3-5-14(6-4-13)18(26)23-10-16-2-1-9-27-16/h1-9,12H,10-11H2,(H,23,26)
InChIKeyZTOOZUHAZKKNBG-UHFFFAOYSA-N
XLogP3.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide (CID 1486044) is 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ZTOOZUHAZKKNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c20-19(21,22)15-7-8-17(25)24(12-15)11-13-3-5-14(6-4-13)18(26)23-10-16-2-1-9-27-16/h1-9,12H,10-11H2,(H,23,26).
What are the key properties of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide?
4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 392.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 1486044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).