2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

C16H16ClNO2S — CID 8949494

IUPAC2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESC[C@@H]1c2ccsc2CCN1C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2S/c1-11-14-6-8-21-15(14)5-7-18(11)16(19)10-20-13-4-2-3-12(17)9-13/h2-4,6,8-9,11H,5,7,10H2,1H3/t11-/m1/s1
InChIKeyBPMIWJMMEKMQBZ-LLVKDONJSA-N
MW321.83 g/mol
LogP3.93
Rot. Bonds3

About 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 8949494) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID8949494
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESC[C@@H]1c2ccsc2CCN1C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2S/c1-11-14-6-8-21-15(14)5-7-18(11)16(19)10-20-13-4-2-3-12(17)9-13/h2-4,6,8-9,11H,5,7,10H2,1H3/t11-/m1/s1
InChIKeyBPMIWJMMEKMQBZ-LLVKDONJSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8948796
2-(4-chloro-2-methylphenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8948904
2-(4-chloro-2,6-dimethylphenoxy)-1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8949245
5-chloro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
CID 54916161
(3-methoxyphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156078
(2R,3R)-1-[2-(3-chlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114931
methyl 5-[2-(4-ethoxyphenoxy)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565326
2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
CID 8949001
6-chloro-3-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 8950079
3-(furan-2-yl)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 94463277
(2-amino-4-chlorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61140438
(2-bromo-4-chlorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 107988209

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 8949494) is 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is C[C@@H]1c2ccsc2CCN1C(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is BPMIWJMMEKMQBZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11-14-6-8-21-15(14)5-7-18(11)16(19)10-20-13-4-2-3-12(17)9-13/h2-4,6,8-9,11H,5,7,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 321.83 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 8949494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).