2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C18H20ClNO2S — CID 112798023

IUPAC2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCCC1c2ccsc2CCN1C(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C18H20ClNO2S/c1-3-15-13-7-9-23-17(13)6-8-20(15)18(21)11-22-16-10-12(2)4-5-14(16)19/h4-5,7,9-10,15H,3,6,8,11H2,1-2H3
InChIKeyHLEUNSQIPVXXPB-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.62
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 112798023) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID112798023
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCCC1c2ccsc2CCN1C(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C18H20ClNO2S/c1-3-15-13-7-9-23-17(13)6-8-20(15)18(21)11-22-16-10-12(2)4-5-14(16)19/h4-5,7,9-10,15H,3,6,8,11H2,1-2H3
InChIKeyHLEUNSQIPVXXPB-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone with MolForge

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Related Compounds

2-(4-chloro-2-methylphenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8948904
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxy)ethanone
CID 103606773
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112978935
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611383
2-(4-chloro-2,6-dimethylphenoxy)-1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8949245
N-[2-[4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-methoxyacetamide
CID 46011099
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 51239354
3-chloro-N-[2-[4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethylbenzamide
CID 46011102
3-chloro-N-[2-[(4R)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethylbenzamide
CID 93168382
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 112798023) is 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is CCC1c2ccsc2CCN1C(=O)COc1cc(C)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is HLEUNSQIPVXXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-3-15-13-7-9-23-17(13)6-8-20(15)18(21)11-22-16-10-12(2)4-5-14(16)19/h4-5,7,9-10,15H,3,6,8,11H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 349.88 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 112798023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).