5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide

C19H15F3N2O2S — CID 6734264

IUPAC5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(CSc2ccccn2)o1
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)15-6-2-1-5-13(15)11-24-18(25)16-9-8-14(26-16)12-27-17-7-3-4-10-23-17/h1-10H,11-12H2,(H,24,25)
InChIKeyVQABWTBWBYPLHX-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.92
Rot. Bonds6

About 5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide

5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 6734264) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID6734264
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(CSc2ccccn2)o1
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)15-6-2-1-5-13(15)11-24-18(25)16-9-8-14(26-16)12-27-17-7-3-4-10-23-17/h1-10H,11-12H2,(H,24,25)
InChIKeyVQABWTBWBYPLHX-UHFFFAOYSA-N
XLogP4.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide (CID 6734264) is 5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1ccc(CSc2ccccn2)o1.
What is the InChIKey of 5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is VQABWTBWBYPLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c20-19(21,22)15-6-2-1-5-13(15)11-24-18(25)16-9-8-14(26-16)12-27-17-7-3-4-10-23-17/h1-10H,11-12H2,(H,24,25).
What are the key properties of 5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylsulfanylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 6734264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).