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

C16H16FNO3S2 — CID 55811669

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one
SMILESCC(C(=O)N1CCc2sccc2C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3S2/c1-11(23(20,21)14-4-2-13(17)3-5-14)16(19)18-8-6-15-12(10-18)7-9-22-15/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyJIJIKANTRWFPRL-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.63
Rot. Bonds3

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one (PubChem CID 55811669) has the molecular formula C16H16FNO3S2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one
PubChem CID55811669
Molecular FormulaC16H16FNO3S2
Molecular Weight353.44 g/mol
Exact Mass353.06
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one
SMILESCC(C(=O)N1CCc2sccc2C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3S2/c1-11(23(20,21)14-4-2-13(17)3-5-14)16(19)18-8-6-15-12(10-18)7-9-22-15/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyJIJIKANTRWFPRL-UHFFFAOYSA-N
XLogP2.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
2-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 30455222
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 55525807
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55811284
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide
CID 75434529
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one
CID 94004829
N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpropanamide
CID 52876316
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76924704
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenylphenoxy)propan-1-one
CID 55607981
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 71575733

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one (CID 55811669) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one is CC(C(=O)N1CCc2sccc2C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one?
The InChIKey is JIJIKANTRWFPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S2/c1-11(23(20,21)14-4-2-13(17)3-5-14)16(19)18-8-6-15-12(10-18)7-9-22-15/h2-5,7,9,11H,6,8,10H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one has a molecular weight of 353.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-fluorophenyl)sulfonylpropan-1-one is sourced from PubChem (CID 55811669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).