2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone

C17H18FNO3S — CID 123434243

IUPAC2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2Cc3sccc3C(O)C2)c(F)c1
InChIInChI=1S/C17H18FNO3S/c1-2-22-12-4-3-11(14(18)8-12)7-17(21)19-9-15(20)13-5-6-23-16(13)10-19/h3-6,8,15,20H,2,7,9-10H2,1H3
InChIKeyPMNQFPGEWLKVFW-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone

2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone (PubChem CID 123434243) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone
PubChem CID123434243
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2Cc3sccc3C(O)C2)c(F)c1
InChIInChI=1S/C17H18FNO3S/c1-2-22-12-4-3-11(14(18)8-12)7-17(21)19-9-15(20)13-5-6-23-16(13)10-19/h3-6,8,15,20H,2,7,9-10H2,1H3
InChIKeyPMNQFPGEWLKVFW-UHFFFAOYSA-N
XLogP2.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
The IUPAC name of 2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone (CID 123434243) is 2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
The canonical SMILES for 2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone is CCOc1ccc(CC(=O)N2Cc3sccc3C(O)C2)c(F)c1.
What is the InChIKey of 2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
The InChIKey is PMNQFPGEWLKVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-2-22-12-4-3-11(14(18)8-12)7-17(21)19-9-15(20)13-5-6-23-16(13)10-19/h3-6,8,15,20H,2,7,9-10H2,1H3.
What are the key properties of 2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone has a molecular weight of 335.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-fluorophenyl)-1-(4-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 123434243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).