(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one

C22H15NOS — CID 58026323

IUPAC(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1sc2ncccc2c1-c1ccccc1
InChIInChI=1S/C22H15NOS/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/h1-15H/b14-13+
InChIKeyLNXBPQSDBURHFV-BUHFOSPRSA-N
MW341.44 g/mol
LogP5.86
Rot. Bonds4

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

(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one (PubChem CID 58026323) has the molecular formula C22H15NOS and a molecular weight of 341.44 g/mol. Its IUPAC name is (E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
PubChem CID58026323
Molecular FormulaC22H15NOS
Molecular Weight341.44 g/mol
Exact Mass341.09
IUPAC Name(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1sc2ncccc2c1-c1ccccc1
InChIInChI=1S/C22H15NOS/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/h1-15H/b14-13+
InChIKeyLNXBPQSDBURHFV-BUHFOSPRSA-N
XLogP5.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one (CID 58026323) is (E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccccc1)c1sc2ncccc2c1-c1ccccc1.
What is the InChIKey of (E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one?
The InChIKey is LNXBPQSDBURHFV-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H15NOS/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/h1-15H/b14-13+.
What are the key properties of (E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one?
(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one has a molecular weight of 341.44 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 58026323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).