7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine

C24H23NO2S — CID 170785171

IUPAC7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
SMILESCS(=O)c1ccc(-c2cc3nccc(-c4cccc(C(C)(C)C)c4)c3o2)cc1
InChIInChI=1S/C24H23NO2S/c1-24(2,3)18-7-5-6-17(14-18)20-12-13-25-21-15-22(27-23(20)21)16-8-10-19(11-9-16)28(4)26/h5-15H,1-4H3
InChIKeyRSEIBBLQUZJSRJ-UHFFFAOYSA-N
MW389.52 g/mol
LogP6.20
Rot. Bonds3

About 7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine

7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine (PubChem CID 170785171) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
PubChem CID170785171
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
SMILESCS(=O)c1ccc(-c2cc3nccc(-c4cccc(C(C)(C)C)c4)c3o2)cc1
InChIInChI=1S/C24H23NO2S/c1-24(2,3)18-7-5-6-17(14-18)20-12-13-25-21-15-22(27-23(20)21)16-8-10-19(11-9-16)28(4)26/h5-15H,1-4H3
InChIKeyRSEIBBLQUZJSRJ-UHFFFAOYSA-N
XLogP6.20
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine (CID 170785171) is 7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine is CS(=O)c1ccc(-c2cc3nccc(-c4cccc(C(C)(C)C)c4)c3o2)cc1.
What is the InChIKey of 7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
The InChIKey is RSEIBBLQUZJSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-24(2,3)18-7-5-6-17(14-18)20-12-13-25-21-15-22(27-23(20)21)16-8-10-19(11-9-16)28(4)26/h5-15H,1-4H3.
What are the key properties of 7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine has a molecular weight of 389.52 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butylphenyl)-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 170785171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).