2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide

C20H13F4NO4S — CID 24772222

IUPAC2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide
SMILESCC1OCc2sc(NC(=O)c3c(F)cccc3C(F)(F)F)c(C(=O)c3ccco3)c21
InChIInChI=1S/C20H13F4NO4S/c1-9-14-13(8-29-9)30-19(16(14)17(26)12-6-3-7-28-12)25-18(27)15-10(20(22,23)24)4-2-5-11(15)21/h2-7,9H,8H2,1H3,(H,25,27)
InChIKeyKDIBHXIXRQHLBI-UHFFFAOYSA-N
MW439.39 g/mol
LogP5.57
Rot. Bonds4

About 2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide

2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide (PubChem CID 24772222) has the molecular formula C20H13F4NO4S and a molecular weight of 439.39 g/mol. Its IUPAC name is 2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide
PubChem CID24772222
Molecular FormulaC20H13F4NO4S
Molecular Weight439.39 g/mol
Exact Mass439.05
IUPAC Name2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide
SMILESCC1OCc2sc(NC(=O)c3c(F)cccc3C(F)(F)F)c(C(=O)c3ccco3)c21
InChIInChI=1S/C20H13F4NO4S/c1-9-14-13(8-29-9)30-19(16(14)17(26)12-6-3-7-28-12)25-18(27)15-10(20(22,23)24)4-2-5-11(15)21/h2-7,9H,8H2,1H3,(H,25,27)
InChIKeyKDIBHXIXRQHLBI-UHFFFAOYSA-N
XLogP5.57
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide (CID 24772222) is 2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide is CC1OCc2sc(NC(=O)c3c(F)cccc3C(F)(F)F)c(C(=O)c3ccco3)c21.
What is the InChIKey of 2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide?
The InChIKey is KDIBHXIXRQHLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4NO4S/c1-9-14-13(8-29-9)30-19(16(14)17(26)12-6-3-7-28-12)25-18(27)15-10(20(22,23)24)4-2-5-11(15)21/h2-7,9H,8H2,1H3,(H,25,27).
What are the key properties of 2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide?
2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide has a molecular weight of 439.39 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 24772222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).