1,3,3-triphenyl-4-sulfanylideneazetidin-2-one

C21H15NOS — CID 165357462

IUPAC1,3,3-triphenyl-4-sulfanylideneazetidin-2-one
SMILESO=C1N(c2ccccc2)C(=S)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15NOS/c23-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)20(24)22(19)18-14-8-3-9-15-18/h1-15H
InChIKeyVIDVEFUNUPVBNY-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.35
Rot. Bonds3

About 1,3,3-triphenyl-4-sulfanylideneazetidin-2-one

1,3,3-triphenyl-4-sulfanylideneazetidin-2-one (PubChem CID 165357462) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 1,3,3-triphenyl-4-sulfanylideneazetidin-2-one.

Molecular Properties

Compound Name1,3,3-triphenyl-4-sulfanylideneazetidin-2-one
PubChem CID165357462
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name1,3,3-triphenyl-4-sulfanylideneazetidin-2-one
SMILESO=C1N(c2ccccc2)C(=S)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15NOS/c23-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)20(24)22(19)18-14-8-3-9-15-18/h1-15H
InChIKeyVIDVEFUNUPVBNY-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
(3R)-3-methyl-1-(4-nitrophenyl)-3-phenyl-4-sulfanylideneazetidin-2-one
CID 139037539
1,3-bis(4-methoxyphenyl)-5,5-diphenylimidazolidine-2,4-dione
CID 135011161
1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one
CID 5379256
5-phenyl-2-sulfanylidene-1,3-diazabicyclo[3.2.1]octane-4,6,8-trione
CID 4556265
3-hydroxy-1,3-diphenylquinoline-2,4-dione
CID 2784001
5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 134917365
5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 132520379
5-ethenyl-3,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 168864617
1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione
CID 131861871
(1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 98600968
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922

Frequently Asked Questions

What is the IUPAC name of 1,3,3-triphenyl-4-sulfanylideneazetidin-2-one?
The IUPAC name of 1,3,3-triphenyl-4-sulfanylideneazetidin-2-one (CID 165357462) is 1,3,3-triphenyl-4-sulfanylideneazetidin-2-one.
What is the SMILES notation for 1,3,3-triphenyl-4-sulfanylideneazetidin-2-one?
The canonical SMILES for 1,3,3-triphenyl-4-sulfanylideneazetidin-2-one is O=C1N(c2ccccc2)C(=S)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3,3-triphenyl-4-sulfanylideneazetidin-2-one?
The InChIKey is VIDVEFUNUPVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c23-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)20(24)22(19)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 1,3,3-triphenyl-4-sulfanylideneazetidin-2-one?
1,3,3-triphenyl-4-sulfanylideneazetidin-2-one has a molecular weight of 329.42 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-triphenyl-4-sulfanylideneazetidin-2-one is sourced from PubChem (CID 165357462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).