5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine

C20H15NOS — CID 90925144

IUPAC5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine
SMILESc1ccc(CSc2ccccc2-c2cnc3occc3c2)cc1
InChIInChI=1S/C20H15NOS/c1-2-6-15(7-3-1)14-23-19-9-5-4-8-18(19)17-12-16-10-11-22-20(16)21-13-17/h1-13H,14H2
InChIKeyDVYQEZDKMOSUCY-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.79
Rot. Bonds4

About 5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine

5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine (PubChem CID 90925144) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine
PubChem CID90925144
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine
SMILESc1ccc(CSc2ccccc2-c2cnc3occc3c2)cc1
InChIInChI=1S/C20H15NOS/c1-2-6-15(7-3-1)14-23-19-9-5-4-8-18(19)17-12-16-10-11-22-20(16)21-13-17/h1-13H,14H2
InChIKeyDVYQEZDKMOSUCY-UHFFFAOYSA-N
XLogP5.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine?
The IUPAC name of 5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine (CID 90925144) is 5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine?
The canonical SMILES for 5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine is c1ccc(CSc2ccccc2-c2cnc3occc3c2)cc1.
What is the InChIKey of 5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine?
The InChIKey is DVYQEZDKMOSUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c1-2-6-15(7-3-1)14-23-19-9-5-4-8-18(19)17-12-16-10-11-22-20(16)21-13-17/h1-13H,14H2.
What are the key properties of 5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine?
5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine has a molecular weight of 317.41 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine is sourced from PubChem (CID 90925144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).