2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one

C20H21NO2S — CID 127026011

IUPAC2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCSCC1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H21NO2S/c1-15(20(23)21-10-12-24-13-11-21)17-8-5-9-18(14-17)19(22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyYMZGMGYHDFIFKV-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.60
Rot. Bonds4

About 2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one

2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 127026011) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one
PubChem CID127026011
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCSCC1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H21NO2S/c1-15(20(23)21-10-12-24-13-11-21)17-8-5-9-18(14-17)19(22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyYMZGMGYHDFIFKV-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one (CID 127026011) is 2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one is CC(C(=O)N1CCSCC1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is YMZGMGYHDFIFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-15(20(23)21-10-12-24-13-11-21)17-8-5-9-18(14-17)19(22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one?
2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 339.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 127026011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).