2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C20H18FNO2S2 — CID 18272103

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3sccc3C2c2cccs2)cc1F
InChIInChI=1S/C20H18FNO2S2/c1-24-16-5-4-13(11-15(16)21)12-19(23)22-8-6-17-14(7-10-26-17)20(22)18-3-2-9-25-18/h2-5,7,9-11,20H,6,8,12H2,1H3
InChIKeyWIZLECVKBVYWOV-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.67
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 18272103) has the molecular formula C20H18FNO2S2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID18272103
Molecular FormulaC20H18FNO2S2
Molecular Weight387.50 g/mol
Exact Mass387.08
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3sccc3C2c2cccs2)cc1F
InChIInChI=1S/C20H18FNO2S2/c1-24-16-5-4-13(11-15(16)21)12-19(23)22-8-6-17-14(7-10-26-17)20(22)18-3-2-9-25-18/h2-5,7,9-11,20H,6,8,12H2,1H3
InChIKeyWIZLECVKBVYWOV-UHFFFAOYSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 9075123
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 16577033
N-[4-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]phenyl]acetamide
CID 9075486
2-(4-bromo-2-fluorophenoxy)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 46664905
2-(4-acetyl-2-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41113066
2-(4-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074713
2-(4-methoxyphenyl)sulfanyl-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075414
(E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 46588706
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
2-(2-propoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075071
1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione
CID 9075375

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 18272103) is 2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is COc1ccc(CC(=O)N2CCc3sccc3C2c2cccs2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is WIZLECVKBVYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S2/c1-24-16-5-4-13(11-15(16)21)12-19(23)22-8-6-17-14(7-10-26-17)20(22)18-3-2-9-25-18/h2-5,7,9-11,20H,6,8,12H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 387.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 18272103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).