1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone

C18H18FNO3S — CID 125145351

IUPAC1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
SMILESO=C(CSc1ccc(O)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO3S/c19-14-3-1-13(2-4-14)17-11-20(9-10-23-17)18(22)12-24-16-7-5-15(21)6-8-16/h1-8,17,21H,9-12H2/t17-/m1/s1
InChIKeyFZZYYKBNZAXCDQ-QGZVFWFLSA-N
MW347.41 g/mol
LogP3.22
Rot. Bonds4

About 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone

1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone (PubChem CID 125145351) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
PubChem CID125145351
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
SMILESO=C(CSc1ccc(O)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO3S/c19-14-3-1-13(2-4-14)17-11-20(9-10-23-17)18(22)12-24-16-7-5-15(21)6-8-16/h1-8,17,21H,9-12H2/t17-/m1/s1
InChIKeyFZZYYKBNZAXCDQ-QGZVFWFLSA-N
XLogP3.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 55564198
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 60507668
3-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 46579431
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone?
The IUPAC name of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone (CID 125145351) is 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone?
The canonical SMILES for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone is O=C(CSc1ccc(O)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone?
The InChIKey is FZZYYKBNZAXCDQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18FNO3S/c19-14-3-1-13(2-4-14)17-11-20(9-10-23-17)18(22)12-24-16-7-5-15(21)6-8-16/h1-8,17,21H,9-12H2/t17-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone?
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone has a molecular weight of 347.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone is sourced from PubChem (CID 125145351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).