5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide

C19H13FN2O2S — CID 91630563

IUPAC5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccnc1-c1ccco1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C19H13FN2O2S/c20-14-5-6-16-13(9-14)10-17(25-16)19(23)22-11-12-3-1-7-21-18(12)15-4-2-8-24-15/h1-10H,11H2,(H,22,23)
InChIKeyNCYKGKFLILXDKO-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.63
Rot. Bonds4

About 5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide

5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 91630563) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID91630563
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccnc1-c1ccco1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C19H13FN2O2S/c20-14-5-6-16-13(9-14)10-17(25-16)19(23)22-11-12-3-1-7-21-18(12)15-4-2-8-24-15/h1-10H,11H2,(H,22,23)
InChIKeyNCYKGKFLILXDKO-UHFFFAOYSA-N
XLogP4.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide (CID 91630563) is 5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide is O=C(NCc1cccnc1-c1ccco1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NCYKGKFLILXDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-14-5-6-16-13(9-14)10-17(25-16)19(23)22-11-12-3-1-7-21-18(12)15-4-2-8-24-15/h1-10H,11H2,(H,22,23).
What are the key properties of 5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide?
5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91630563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).