[3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone

C19H23NO3S — CID 166246687

IUPAC[3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone
SMILESCOCCC1(C)CN(C(=O)c2cc(OCc3ccccc3)cs2)C1
InChIInChI=1S/C19H23NO3S/c1-19(8-9-22-2)13-20(14-19)18(21)17-10-16(12-24-17)23-11-15-6-4-3-5-7-15/h3-7,10,12H,8-9,11,13-14H2,1-2H3
InChIKeyRIRMHRFOYBXPBX-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.83
Rot. Bonds7

About [3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone

[3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone (PubChem CID 166246687) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is [3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone
PubChem CID166246687
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name[3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone
SMILESCOCCC1(C)CN(C(=O)c2cc(OCc3ccccc3)cs2)C1
InChIInChI=1S/C19H23NO3S/c1-19(8-9-22-2)13-20(14-19)18(21)17-10-16(12-24-17)23-11-15-6-4-3-5-7-15/h3-7,10,12H,8-9,11,13-14H2,1-2H3
InChIKeyRIRMHRFOYBXPBX-UHFFFAOYSA-N
XLogP3.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone?
The IUPAC name of [3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone (CID 166246687) is [3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone.
What is the SMILES notation for [3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone?
The canonical SMILES for [3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone is COCCC1(C)CN(C(=O)c2cc(OCc3ccccc3)cs2)C1.
What is the InChIKey of [3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone?
The InChIKey is RIRMHRFOYBXPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-19(8-9-22-2)13-20(14-19)18(21)17-10-16(12-24-17)23-11-15-6-4-3-5-7-15/h3-7,10,12H,8-9,11,13-14H2,1-2H3.
What are the key properties of [3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone?
[3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone has a molecular weight of 345.46 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethyl)-3-methylazetidin-1-yl]-(4-phenylmethoxythiophen-2-yl)methanone is sourced from PubChem (CID 166246687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).