1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone

C19H20FNO4S — CID 3847500

IUPAC1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESCC(=O)c1ccc(OCC2CN(C(=O)Cc3ccsc3)CCO2)cc1F
InChIInChI=1S/C19H20FNO4S/c1-13(22)17-3-2-15(9-18(17)20)25-11-16-10-21(5-6-24-16)19(23)8-14-4-7-26-12-14/h2-4,7,9,12,16H,5-6,8,10-11H2,1H3
InChIKeyRGFFBGRZYUAGSI-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.94
Rot. Bonds6

About 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone

1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone (PubChem CID 3847500) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
PubChem CID3847500
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESCC(=O)c1ccc(OCC2CN(C(=O)Cc3ccsc3)CCO2)cc1F
InChIInChI=1S/C19H20FNO4S/c1-13(22)17-3-2-15(9-18(17)20)25-11-16-10-21(5-6-24-16)19(23)8-14-4-7-26-12-14/h2-4,7,9,12,16H,5-6,8,10-11H2,1H3
InChIKeyRGFFBGRZYUAGSI-UHFFFAOYSA-N
XLogP2.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
CID 3768585
1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 3800706
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 3690681
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3869012
1-[2-fluoro-4-[[4-(3-methylfuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 3518371
1-[2-(2-aminoethyl)morpholin-4-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 154908174
1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 46100350
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-[(4,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 3733269
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 3820439
(1S,4R)-1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 74228119

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone (CID 3847500) is 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone is CC(=O)c1ccc(OCC2CN(C(=O)Cc3ccsc3)CCO2)cc1F.
What is the InChIKey of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The InChIKey is RGFFBGRZYUAGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-13(22)17-3-2-15(9-18(17)20)25-11-16-10-21(5-6-24-16)19(23)8-14-4-7-26-12-14/h2-4,7,9,12,16H,5-6,8,10-11H2,1H3.
What are the key properties of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone has a molecular weight of 377.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 3847500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).