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

C16H16BrNO2S — CID 8948796

IUPAC2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESC[C@@H]1c2ccsc2CCN1C(=O)COc1cccc(Br)c1
InChIInChI=1S/C16H16BrNO2S/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
InChIKeyHTCMQAVOQUJVRG-LLVKDONJSA-N
MW366.28 g/mol
LogP4.04
Rot. Bonds3

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

2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 8948796) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID8948796
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESC[C@@H]1c2ccsc2CCN1C(=O)COc1cccc(Br)c1
InChIInChI=1S/C16H16BrNO2S/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
InChIKeyHTCMQAVOQUJVRG-LLVKDONJSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenoxy)-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-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8949494
2-(4-chloro-2,6-dimethylphenoxy)-1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8949245
2-(4-chloro-2-methylphenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8948904
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
2-(3-bromophenoxy)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120569813
(2,4-dibromophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 107952195
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
CID 124691389
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
CID 124689447
4-bromo-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
CID 8949400
(5-bromo-2-iodophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103604025
3-(furan-2-yl)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 94463277

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 8948796) is 2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is C[C@@H]1c2ccsc2CCN1C(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is HTCMQAVOQUJVRG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16BrNO2S/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-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 366.28 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 8948796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).