5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine

C22H16N2O3S — CID 139618879

IUPAC5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine
SMILESO=S(c1ccc(/C=C/c2ccco2)cn1)c1ccc(/C=C/c2ccco2)cn1
InChIInChI=1S/C22H16N2O3S/c25-28(21-11-7-17(15-23-21)5-9-19-3-1-13-26-19)22-12-8-18(16-24-22)6-10-20-4-2-14-27-20/h1-16H/b9-5+,10-6+
InChIKeyFEZGFCKIMAKKAF-NXZHAISVSA-N
MW388.45 g/mol
LogP5.17
Rot. Bonds6

About 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine

5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine (PubChem CID 139618879) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine.

Molecular Properties

Compound Name5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine
PubChem CID139618879
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC Name5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine
SMILESO=S(c1ccc(/C=C/c2ccco2)cn1)c1ccc(/C=C/c2ccco2)cn1
InChIInChI=1S/C22H16N2O3S/c25-28(21-11-7-17(15-23-21)5-9-19-3-1-13-26-19)22-12-8-18(16-24-22)6-10-20-4-2-14-27-20/h1-16H/b9-5+,10-6+
InChIKeyFEZGFCKIMAKKAF-NXZHAISVSA-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 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-{[5-(2-pyridinylsulfanyl)-2-furyl]methylene}isonicotinohydrazide
CID 9563318
3-(1-Benzofuran-2-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
CID 2739573
5-(2-Pyridinylsulfanyl)-2-furaldehyde
CID 2794784
(E)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
CID 5703126
(NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide
CID 135057168
2-[(2-Furylmethyl)thio]-5-(trifluoromethyl)pyridine
CID 2780633
N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55369154
5-[[5-(Trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carbaldehyde
CID 63803877
N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide
CID 87024607
2-Furyl 2-pyridylthio ketone
CID 782585
3-[[4-[4-(Furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine
CID 24730929
3-((4-(((Furan-2-ylmethyl)thio)methyl)piperidin-1-yl)sulfonyl)pyridine
CID 71801139

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine?
The IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine (CID 139618879) is 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine.
What is the SMILES notation for 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine?
The canonical SMILES for 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine is O=S(c1ccc(/C=C/c2ccco2)cn1)c1ccc(/C=C/c2ccco2)cn1.
What is the InChIKey of 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine?
The InChIKey is FEZGFCKIMAKKAF-NXZHAISVSA-N. The full InChI is InChI=1S/C22H16N2O3S/c25-28(21-11-7-17(15-23-21)5-9-19-3-1-13-26-19)22-12-8-18(16-24-22)6-10-20-4-2-14-27-20/h1-16H/b9-5+,10-6+.
What are the key properties of 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine?
5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-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 5-[(E)-2-(furan-2-yl)ethenyl]-2-[[5-[(E)-2-(furan-2-yl)ethenyl]-2-pyridinyl]sulfinyl]pyridine is sourced from PubChem (CID 139618879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).