1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone

C18H20FNO3S — CID 71959437

IUPAC1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCOC(COCc2ccccc2F)C1
InChIInChI=1S/C18H20FNO3S/c19-17-4-2-1-3-15(17)11-22-12-16-10-20(6-7-23-16)18(21)9-14-5-8-24-13-14/h1-5,8,13,16H,6-7,9-12H2
InChIKeyWVEBDOXPKZXVMA-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.87
Rot. Bonds6

About 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone

1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone (PubChem CID 71959437) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
PubChem CID71959437
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCOC(COCc2ccccc2F)C1
InChIInChI=1S/C18H20FNO3S/c19-17-4-2-1-3-15(17)11-22-12-16-10-20(6-7-23-16)18(21)9-14-5-8-24-13-14/h1-5,8,13,16H,6-7,9-12H2
InChIKeyWVEBDOXPKZXVMA-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone (CID 71959437) is 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCOC(COCc2ccccc2F)C1.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The InChIKey is WVEBDOXPKZXVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-17-4-2-1-3-15(17)11-22-12-16-10-20(6-7-23-16)18(21)9-14-5-8-24-13-14/h1-5,8,13,16H,6-7,9-12H2.
What are the key properties of 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone has a molecular weight of 349.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 71959437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).