1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone

C15H14ClNO2S — CID 77090716

IUPAC1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C15H14ClNO2S/c16-11-3-1-4-12(7-11)19-13-9-17(10-13)15(18)8-14-5-2-6-20-14/h1-7,13H,8-10H2
InChIKeyIDECLECCTJHBKP-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.23
Rot. Bonds4

About 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone

1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 77090716) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID77090716
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C15H14ClNO2S/c16-11-3-1-4-12(7-11)19-13-9-17(10-13)15(18)8-14-5-2-6-20-14/h1-7,13H,8-10H2
InChIKeyIDECLECCTJHBKP-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone with MolForge

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Related Compounds

1-[4-(3-chlorophenoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110356932
1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-ethylsulfanylethanone
CID 90652097
3-(3-chlorophenoxy)azetidine-1-carbonyl chloride
CID 15042230
1-(3-pyridin-2-yloxyazetidin-1-yl)-2-thiophen-2-ylethanone
CID 122247181
1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 84561766
2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251883
1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-thiophen-2-ylethanone
CID 122249966
1-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-thiophen-2-ylethanone
CID 56866059
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110396938
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120660237
3-(3-chlorophenoxy)-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-1-carboxamide
CID 71907660

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone (CID 77090716) is 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CC(Oc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is IDECLECCTJHBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-11-3-1-4-12(7-11)19-13-9-17(10-13)15(18)8-14-5-2-6-20-14/h1-7,13H,8-10H2.
What are the key properties of 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 307.80 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 77090716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).