1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine

C22H15NOS — CID 164667884

IUPAC1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccc(-c2nc(-c3ccccc3)cc3c2oc2ccccc23)s1
InChIInChI=1S/C22H15NOS/c1-14-11-12-20(25-14)21-22-17(16-9-5-6-10-19(16)24-22)13-18(23-21)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyLUEDCQOVTYGUJU-UHFFFAOYSA-N
MW341.44 g/mol
LogP6.68
Rot. Bonds2

About 1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine

1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine (PubChem CID 164667884) has the molecular formula C22H15NOS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine
PubChem CID164667884
Molecular FormulaC22H15NOS
Molecular Weight341.44 g/mol
Exact Mass341.09
IUPAC Name1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccc(-c2nc(-c3ccccc3)cc3c2oc2ccccc23)s1
InChIInChI=1S/C22H15NOS/c1-14-11-12-20(25-14)21-22-17(16-9-5-6-10-19(16)24-22)13-18(23-21)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyLUEDCQOVTYGUJU-UHFFFAOYSA-N
XLogP6.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl-[2-(7-oxa-5-aza-benzo[c]fluoren-6-ylsulfanyl)-ethyl]-amine
CID 10336267
2-(Furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46229578
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine
CID 46229599
2-(5-Chlorothiophen-2-yl)-6-(furan-2-yl)-4-(furan-3-yl)pyridine
CID 46229598
4-(5-Methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine
CID 46224771
4-(5-Methylfuran-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-2-ylpyridine
CID 46224811
4-(5-Methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine
CID 46224853
4-(5-Methylfuran-2-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 46224886
4-(5-Methylfuran-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
CID 46224887
2-(furan-2-yl)-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine
CID 101884631
2-(furan-2-yl)-4-thiophen-3-yl-5H-indeno[1,2-b]pyridine
CID 101884632
2-(Furan-2-yl)-6-thiophen-3-ylpyridine
CID 24873974

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine (CID 164667884) is 1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine is Cc1ccc(-c2nc(-c3ccccc3)cc3c2oc2ccccc23)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is LUEDCQOVTYGUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NOS/c1-14-11-12-20(25-14)21-22-17(16-9-5-6-10-19(16)24-22)13-18(23-21)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine?
1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 341.44 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-3-phenyl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 164667884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).