2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one

C21H15NO2S — CID 141302111

IUPAC2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one
SMILESCc1c(C(=O)c2ccccc2)sc2c1c(=O)ccn2-c1ccccc1
InChIInChI=1S/C21H15NO2S/c1-14-18-17(23)12-13-22(16-10-6-3-7-11-16)21(18)25-20(14)19(24)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyZVHYGUGZLBEKDM-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.59
Rot. Bonds3

About 2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one

2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one (PubChem CID 141302111) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one
PubChem CID141302111
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC Name2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one
SMILESCc1c(C(=O)c2ccccc2)sc2c1c(=O)ccn2-c1ccccc1
InChIInChI=1S/C21H15NO2S/c1-14-18-17(23)12-13-22(16-10-6-3-7-11-16)21(18)25-20(14)19(24)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyZVHYGUGZLBEKDM-UHFFFAOYSA-N
XLogP4.59
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one?
The IUPAC name of 2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one (CID 141302111) is 2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one.
What is the SMILES notation for 2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one?
The canonical SMILES for 2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one is Cc1c(C(=O)c2ccccc2)sc2c1c(=O)ccn2-c1ccccc1.
What is the InChIKey of 2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one?
The InChIKey is ZVHYGUGZLBEKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S/c1-14-18-17(23)12-13-22(16-10-6-3-7-11-16)21(18)25-20(14)19(24)15-8-4-2-5-9-15/h2-13H,1H3.
What are the key properties of 2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one?
2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one has a molecular weight of 345.42 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one is sourced from PubChem (CID 141302111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).