2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone

C20H21NO2S2 — CID 54219429

IUPAC2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone
SMILESO=C(CSCC(=O)N1CCSCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21NO2S2/c22-19(14-25-15-20(23)21-10-12-24-13-11-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyQBMZBPCHXPPLCK-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.84
Rot. Bonds6

About 2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone

2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone (PubChem CID 54219429) has the molecular formula C20H21NO2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone
PubChem CID54219429
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC Name2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone
SMILESO=C(CSCC(=O)N1CCSCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21NO2S2/c22-19(14-25-15-20(23)21-10-12-24-13-11-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyQBMZBPCHXPPLCK-UHFFFAOYSA-N
XLogP3.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Methyl-1,4-dioxonaphthalen-2-yl)methyl thiomorpholine-4-carbodithioate
CID 145962338
4-Biphenylyl(1-propionyl-3-piperidinyl)methanone
CID 23723754
(3-oxo-1,3-diphenylpropyl) N,N-diethylcarbamodithioate
CID 11681955
(3-Oxo-1,3-diphenylpropyl) piperidine-1-carbodithioate
CID 11696362
(3-Methyl-1,4-dioxonaphthalen-2-yl)methyl 4-acetylpiperazine-1-carbodithioate
CID 145962864
2-(3-Oxo-3-piperidin-1-ylpropyl)sulfanylnaphthalene-1,4-dione
CID 44330016
[1-(4-methylphenyl)-3-oxo-3-phenylpropyl] N,N-diethylcarbamodithioate
CID 46906338
2-(3-Benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one
CID 127026011
(E)-N-ethyl-N-methyl-4-oxo-4-(4-phenylphenyl)but-2-enamide
CID 155524330
(E)-4-oxo-4-(4-phenylphenyl)-N,N-dipropylbut-2-enamide
CID 155561815
S-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl] piperidine-1-carbothioate
CID 177370886
[2-Benzoyl-5-(dimethylamino)-1,3-dithian-2-yl]-phenylmethanone
CID 13488510

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone (CID 54219429) is 2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone is O=C(CSCC(=O)N1CCSCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone?
The InChIKey is QBMZBPCHXPPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S2/c22-19(14-25-15-20(23)21-10-12-24-13-11-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone?
2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone has a molecular weight of 371.53 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanyl-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 54219429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).