1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone

C20H20FNO2S2 — CID 54187021

IUPAC1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone
SMILESO=C(CSCC(=O)N1CCSCC1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C20H20FNO2S2/c21-18-4-2-1-3-17(18)15-5-7-16(8-6-15)19(23)13-26-14-20(24)22-9-11-25-12-10-22/h1-8H,9-14H2
InChIKeyPFUGUGWZJKDEFC-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.98
Rot. Bonds6

About 1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone

1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone (PubChem CID 54187021) has the molecular formula C20H20FNO2S2 and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone
PubChem CID54187021
Molecular FormulaC20H20FNO2S2
Molecular Weight389.52 g/mol
Exact Mass389.09
IUPAC Name1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone
SMILESO=C(CSCC(=O)N1CCSCC1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C20H20FNO2S2/c21-18-4-2-1-3-17(18)15-5-7-16(8-6-15)19(23)13-26-14-20(24)22-9-11-25-12-10-22/h1-8H,9-14H2
InChIKeyPFUGUGWZJKDEFC-UHFFFAOYSA-N
XLogP3.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl] N,N-diethylcarbamodithioate
CID 46906336
2-(3-Oxo-3-piperidin-1-ylpropyl)sulfanylnaphthalene-1,4-dione
CID 44330016
4-[3-(2-Fluorophenyl)-3-phenylpropanoyl]thiomorpholine
CID 45228273
[1-(4-methylphenyl)-3-oxo-3-phenylpropyl] N,N-diethylcarbamodithioate
CID 46906338
2-(3-Benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one
CID 127026011
4-(2-Benzylsulfanyl-4-fluorobenzoyl)piperidine-1-carbaldehyde
CID 86167398
[2-Benzoyl-5-(dimethylamino)-1,3-dithian-2-yl]-phenylmethanone
CID 13488510
[2-Benzoyl-5-[(dimethylamino)methyl]-1,3-dithian-2-yl]-phenylmethanone
CID 14442289
1-[4-(4-Fluorophenyl)piperidin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione
CID 44764587
(2-Fluoro-4-biphenylyl){1-[(methylthio)acetyl]-3-piperidinyl}methanone
CID 45186642
(2-fluoro-4-biphenylyl)[1-(tetrahydro-2H-thiopyran-4-yl)-3-piperidinyl]methanone
CID 45218376
[(4S)-2-benzoyl-4-[(dimethylamino)methyl]-1,3-dithian-2-yl]-phenylmethanone
CID 76319677

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone (CID 54187021) is 1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone is O=C(CSCC(=O)N1CCSCC1)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone?
The InChIKey is PFUGUGWZJKDEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2S2/c21-18-4-2-1-3-17(18)15-5-7-16(8-6-15)19(23)13-26-14-20(24)22-9-11-25-12-10-22/h1-8H,9-14H2.
What are the key properties of 1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone?
1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone has a molecular weight of 389.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)phenyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)sulfanylethanone is sourced from PubChem (CID 54187021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).