1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one

C17H23NO3S — CID 67686017

IUPAC1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one
SMILESCCCCS(=O)C(CC(=O)CN1CCC1=O)c1ccccc1
InChIInChI=1S/C17H23NO3S/c1-2-3-11-22(21)16(14-7-5-4-6-8-14)12-15(19)13-18-10-9-17(18)20/h4-8,16H,2-3,9-13H2,1H3
InChIKeyXMQWMOVFRQUGBH-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.47
Rot. Bonds9

About 1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one

1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one (PubChem CID 67686017) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one.

Molecular Properties

Compound Name1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one
PubChem CID67686017
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one
SMILESCCCCS(=O)C(CC(=O)CN1CCC1=O)c1ccccc1
InChIInChI=1S/C17H23NO3S/c1-2-3-11-22(21)16(14-7-5-4-6-8-14)12-15(19)13-18-10-9-17(18)20/h4-8,16H,2-3,9-13H2,1H3
InChIKeyXMQWMOVFRQUGBH-UHFFFAOYSA-N
XLogP2.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one?
The IUPAC name of 1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one (CID 67686017) is 1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one.
What is the SMILES notation for 1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one?
The canonical SMILES for 1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one is CCCCS(=O)C(CC(=O)CN1CCC1=O)c1ccccc1.
What is the InChIKey of 1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one?
The InChIKey is XMQWMOVFRQUGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-2-3-11-22(21)16(14-7-5-4-6-8-14)12-15(19)13-18-10-9-17(18)20/h4-8,16H,2-3,9-13H2,1H3.
What are the key properties of 1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one?
1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one has a molecular weight of 321.44 g/mol, XLogP of 2.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylsulfinyl-2-oxo-4-phenylbutyl)azetidin-2-one is sourced from PubChem (CID 67686017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).