2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone

C22H14Cl3NO2S — CID 159737489

IUPAC2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1sc2ncccc2c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H14Cl3NO2S/c23-15-6-3-13(4-7-15)11-19(27)21-20(16-2-1-9-26-22(16)29-21)28-12-14-5-8-17(24)18(25)10-14/h1-10H,11-12H2
InChIKeyNCAFNQAZQOMLQX-UHFFFAOYSA-N
MW462.79 g/mol
LogP7.26
Rot. Bonds6

About 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone

2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone (PubChem CID 159737489) has the molecular formula C22H14Cl3NO2S and a molecular weight of 462.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone
PubChem CID159737489
Molecular FormulaC22H14Cl3NO2S
Molecular Weight462.79 g/mol
Exact Mass460.98
IUPAC Name2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1sc2ncccc2c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H14Cl3NO2S/c23-15-6-3-13(4-7-15)11-19(27)21-20(16-2-1-9-26-22(16)29-21)28-12-14-5-8-17(24)18(25)10-14/h1-10H,11-12H2
InChIKeyNCAFNQAZQOMLQX-UHFFFAOYSA-N
XLogP7.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.79
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone with MolForge

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Related Compounds

N-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxamide
CID 3751364
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
N-[(4-chlorophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353252
1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 80529728
2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
CID 2801382
2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
2-(3,4-dichlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 63045615
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 62621745
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone
CID 105089800

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone (CID 159737489) is 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone is O=C(Cc1ccc(Cl)cc1)c1sc2ncccc2c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is NCAFNQAZQOMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3NO2S/c23-15-6-3-13(4-7-15)11-19(27)21-20(16-2-1-9-26-22(16)29-21)28-12-14-5-8-17(24)18(25)10-14/h1-10H,11-12H2.
What are the key properties of 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone?
2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 462.79 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-[(3,4-dichlorophenyl)methoxy]thieno[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 159737489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).