2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine

C22H16N2O3S — CID 139618886

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine
SMILESO=S(c1ccnc(/C=C/c2ccco2)c1)c1ccnc(/C=C/c2ccco2)c1
InChIInChI=1S/C22H16N2O3S/c25-28(21-9-11-23-17(15-21)5-7-19-3-1-13-26-19)22-10-12-24-18(16-22)6-8-20-4-2-14-27-20/h1-16H/b7-5+,8-6+
InChIKeyRSYHLDZTIRAGPE-KQQUZDAGSA-N
MW388.45 g/mol
LogP5.17
Rot. Bonds6

About 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine

2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine (PubChem CID 139618886) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine
PubChem CID139618886
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine
SMILESO=S(c1ccnc(/C=C/c2ccco2)c1)c1ccnc(/C=C/c2ccco2)c1
InChIInChI=1S/C22H16N2O3S/c25-28(21-9-11-23-17(15-21)5-7-19-3-1-13-26-19)22-10-12-24-18(16-22)6-8-20-4-2-14-27-20/h1-16H/b7-5+,8-6+
InChIKeyRSYHLDZTIRAGPE-KQQUZDAGSA-N
XLogP5.17
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine with MolForge

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Related Compounds

4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
2-[2-[4-[4-(Furan-2-yl)phenyl]sulfonylpiperidin-1-yl]ethyl]pyridine
CID 24730942
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
2-Fluoro-4-(furan-2-ylmethylsulfanyl)pyridine
CID 104032302
2-Fluoro-4-(2-methylfuran-3-yl)sulfanylpyridine
CID 107780839
N-(furan-2-ylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 24732365
N-(furan-2-ylmethyl)-3-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)propanamide
CID 52906802
3-((4-(((Furan-2-ylmethyl)thio)methyl)piperidin-1-yl)sulfonyl)pyridine
CID 71801139
2-(Chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine
CID 18689992
2-(2-{[(Furan-2-yl)methyl]sulfanyl}ethyl)pyridine
CID 20560369
2-{[(2,5-Dimethylfuran-3-yl)sulfanyl]methyl}pyridine
CID 21503087

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine (CID 139618886) is 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine is O=S(c1ccnc(/C=C/c2ccco2)c1)c1ccnc(/C=C/c2ccco2)c1.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine?
The InChIKey is RSYHLDZTIRAGPE-KQQUZDAGSA-N. The full InChI is InChI=1S/C22H16N2O3S/c25-28(21-9-11-23-17(15-21)5-7-19-3-1-13-26-19)22-10-12-24-18(16-22)6-8-20-4-2-14-27-20/h1-16H/b7-5+,8-6+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine?
2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine has a molecular weight of 388.45 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-4-[[2-[(E)-2-(furan-2-yl)ethenyl]-4-pyridinyl]sulfinyl]pyridine is sourced from PubChem (CID 139618886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).