5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one

C21H17NOS — CID 102442712

IUPAC5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one
SMILESO=c1cc(-c2ccccc2)n(CCc2ccccc2)c2ccsc12
InChIInChI=1S/C21H17NOS/c23-20-15-19(17-9-5-2-6-10-17)22(18-12-14-24-21(18)20)13-11-16-7-3-1-4-8-16/h1-10,12,14-15H,11,13H2
InChIKeyROJFGMIJDATXKE-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.97
Rot. Bonds4

About 5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one

5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one (PubChem CID 102442712) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one
PubChem CID102442712
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one
SMILESO=c1cc(-c2ccccc2)n(CCc2ccccc2)c2ccsc12
InChIInChI=1S/C21H17NOS/c23-20-15-19(17-9-5-2-6-10-17)22(18-12-14-24-21(18)20)13-11-16-7-3-1-4-8-16/h1-10,12,14-15H,11,13H2
InChIKeyROJFGMIJDATXKE-UHFFFAOYSA-N
XLogP4.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one?
The IUPAC name of 5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one (CID 102442712) is 5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one is O=c1cc(-c2ccccc2)n(CCc2ccccc2)c2ccsc12.
What is the InChIKey of 5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one?
The InChIKey is ROJFGMIJDATXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOS/c23-20-15-19(17-9-5-2-6-10-17)22(18-12-14-24-21(18)20)13-11-16-7-3-1-4-8-16/h1-10,12,14-15H,11,13H2.
What are the key properties of 5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one?
5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one has a molecular weight of 331.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(2-phenylethyl)thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 102442712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).