2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone

C20H22FNO3S — CID 55564198

IUPAC2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESCCOc1ccc(SCC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H22FNO3S/c1-2-24-17-7-9-18(10-8-17)26-14-20(23)22-11-12-25-19(13-22)15-3-5-16(21)6-4-15/h3-10,19H,2,11-14H2,1H3
InChIKeyVROYLUBXKRGYQX-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.92
Rot. Bonds6

About 2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone

2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone (PubChem CID 55564198) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
PubChem CID55564198
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESCCOc1ccc(SCC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H22FNO3S/c1-2-24-17-7-9-18(10-8-17)26-14-20(23)22-11-12-25-19(13-22)15-3-5-16(21)6-4-15/h3-10,19H,2,11-14H2,1H3
InChIKeyVROYLUBXKRGYQX-UHFFFAOYSA-N
XLogP3.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 125145351
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
(4-ethoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134773
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 60507668
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044391

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone (CID 55564198) is 2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone is CCOc1ccc(SCC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The InChIKey is VROYLUBXKRGYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-2-24-17-7-9-18(10-8-17)26-14-20(23)22-11-12-25-19(13-22)15-3-5-16(21)6-4-15/h3-10,19H,2,11-14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone has a molecular weight of 375.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 55564198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).