[2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate

C17H18ClNO2S — CID 46190226

IUPAC[2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate
SMILESCC(=O)OCC(c1ccccc1Cl)N1CCc2ccsc2C1
InChIInChI=1S/C17H18ClNO2S/c1-12(20)21-11-16(14-4-2-3-5-15(14)18)19-8-6-13-7-9-22-17(13)10-19/h2-5,7,9,16H,6,8,10-11H2,1H3
InChIKeyQLLNOFKSCCPAEN-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.06
Rot. Bonds4

About [2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate

[2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate (PubChem CID 46190226) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate
PubChem CID46190226
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name[2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate
SMILESCC(=O)OCC(c1ccccc1Cl)N1CCc2ccsc2C1
InChIInChI=1S/C17H18ClNO2S/c1-12(20)21-11-16(14-4-2-3-5-15(14)18)19-8-6-13-7-9-22-17(13)10-19/h2-5,7,9,16H,6,8,10-11H2,1H3
InChIKeyQLLNOFKSCCPAEN-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 88573353
methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;propan-2-one
CID 69368303
ethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 71124360
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;methyl acetate
CID 68877762
(1R)-1-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-one
CID 59985948
deuteriomethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 141350312
[(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl] (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 87956878
4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol
CID 56971148
2-acetyloxybenzoic acid;(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
CID 18395083
ethoxyethane;methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 174665501
8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid
CID 56971386
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
CID 23106048

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate?
The IUPAC name of [2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate (CID 46190226) is [2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate.
What is the SMILES notation for [2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate?
The canonical SMILES for [2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate is CC(=O)OCC(c1ccccc1Cl)N1CCc2ccsc2C1.
What is the InChIKey of [2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate?
The InChIKey is QLLNOFKSCCPAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-12(20)21-11-16(14-4-2-3-5-15(14)18)19-8-6-13-7-9-22-17(13)10-19/h2-5,7,9,16H,6,8,10-11H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate?
[2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate has a molecular weight of 335.86 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate is sourced from PubChem (CID 46190226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).