4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile

C20H19FN2O2S — CID 55738682

IUPAC4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile
SMILESN#Cc1ccc(CSCC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H19FN2O2S/c21-18-7-5-17(6-8-18)19-12-23(9-10-25-19)20(24)14-26-13-16-3-1-15(11-22)2-4-16/h1-8,19H,9-10,12-14H2
InChIKeyGACRODZSULQSQW-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.53
Rot. Bonds5

About 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile

4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile (PubChem CID 55738682) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile
PubChem CID55738682
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile
SMILESN#Cc1ccc(CSCC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H19FN2O2S/c21-18-7-5-17(6-8-18)19-12-23(9-10-25-19)20(24)14-26-13-16-3-1-15(11-22)2-4-16/h1-8,19H,9-10,12-14H2
InChIKeyGACRODZSULQSQW-UHFFFAOYSA-N
XLogP3.53
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
CID 134044332
(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid
CID 66862110
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-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile
CID 124614694
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-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
2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 55564198
[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate
CID 95048509

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile?
The IUPAC name of 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile (CID 55738682) is 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile.
What is the SMILES notation for 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile?
The canonical SMILES for 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile is N#Cc1ccc(CSCC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile?
The InChIKey is GACRODZSULQSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c21-18-7-5-17(6-8-18)19-12-23(9-10-25-19)20(24)14-26-13-16-3-1-15(11-22)2-4-16/h1-8,19H,9-10,12-14H2.
What are the key properties of 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile?
4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile has a molecular weight of 370.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile is sourced from PubChem (CID 55738682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).