5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine

C19H15NO3S — CID 45482711

IUPAC5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
SMILESCc1ccc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3n2)o1
InChIInChI=1S/C19H15NO3S/c1-12-3-9-17(23-12)16-8-10-18-19(20-16)15(11-22-18)13-4-6-14(7-5-13)24(2)21/h3-11H,1-2H3
InChIKeyNCICGFQGBXMBFE-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.80
Rot. Bonds3

About 5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine

5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine (PubChem CID 45482711) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
PubChem CID45482711
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
SMILESCc1ccc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3n2)o1
InChIInChI=1S/C19H15NO3S/c1-12-3-9-17(23-12)16-8-10-18-19(20-16)15(11-22-18)13-4-6-14(7-5-13)24(2)21/h3-11H,1-2H3
InChIKeyNCICGFQGBXMBFE-UHFFFAOYSA-N
XLogP4.80
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine (CID 45482711) is 5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine is Cc1ccc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3n2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
The InChIKey is NCICGFQGBXMBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-12-3-9-17(23-12)16-8-10-18-19(20-16)15(11-22-18)13-4-6-14(7-5-13)24(2)21/h3-11H,1-2H3.
What are the key properties of 5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine has a molecular weight of 337.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-3-(4-methylsulfinylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 45482711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).