3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one

C22H17NOS — CID 58026318

IUPAC3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one
SMILESO=C(CCc1ccccc1)c1sc2ncccc2c1-c1ccccc1
InChIInChI=1S/C22H17NOS/c24-19(14-13-16-8-3-1-4-9-16)21-20(17-10-5-2-6-11-17)18-12-7-15-23-22(18)25-21/h1-12,15H,13-14H2
InChIKeyZKSBQGIGXSVVBC-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.78
Rot. Bonds5

About 3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one

3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one (PubChem CID 58026318) has the molecular formula C22H17NOS and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one
PubChem CID58026318
Molecular FormulaC22H17NOS
Molecular Weight343.45 g/mol
Exact Mass343.10
IUPAC Name3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one
SMILESO=C(CCc1ccccc1)c1sc2ncccc2c1-c1ccccc1
InChIInChI=1S/C22H17NOS/c24-19(14-13-16-8-3-1-4-9-16)21-20(17-10-5-2-6-11-17)18-12-7-15-23-22(18)25-21/h1-12,15H,13-14H2
InChIKeyZKSBQGIGXSVVBC-UHFFFAOYSA-N
XLogP5.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one (CID 58026318) is 3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one is O=C(CCc1ccccc1)c1sc2ncccc2c1-c1ccccc1.
What is the InChIKey of 3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
The InChIKey is ZKSBQGIGXSVVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOS/c24-19(14-13-16-8-3-1-4-9-16)21-20(17-10-5-2-6-11-17)18-12-7-15-23-22(18)25-21/h1-12,15H,13-14H2.
What are the key properties of 3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one has a molecular weight of 343.45 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one is sourced from PubChem (CID 58026318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).