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

C14H17NO4S — CID 18781942

IUPAC4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one
SMILESCS(=O)(=O)C1CC(=O)N1CC(=O)CCc1ccccc1
InChIInChI=1S/C14H17NO4S/c1-20(18,19)14-9-13(17)15(14)10-12(16)8-7-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyMRBNJEVAQVKVAJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.79
Rot. Bonds6

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

4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one (PubChem CID 18781942) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one.

Molecular Properties

Compound Name4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one
PubChem CID18781942
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one
SMILESCS(=O)(=O)C1CC(=O)N1CC(=O)CCc1ccccc1
InChIInChI=1S/C14H17NO4S/c1-20(18,19)14-9-13(17)15(14)10-12(16)8-7-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyMRBNJEVAQVKVAJ-UHFFFAOYSA-N
XLogP0.79
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one?
The IUPAC name of 4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one (CID 18781942) is 4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one.
What is the SMILES notation for 4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one?
The canonical SMILES for 4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one is CS(=O)(=O)C1CC(=O)N1CC(=O)CCc1ccccc1.
What is the InChIKey of 4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one?
The InChIKey is MRBNJEVAQVKVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-20(18,19)14-9-13(17)15(14)10-12(16)8-7-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3.
What are the key properties of 4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one?
4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one has a molecular weight of 295.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(2-oxo-4-phenylbutyl)azetidin-2-one is sourced from PubChem (CID 18781942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).