(3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one

C22H19NOS — CID 7314923

IUPAC(3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one
SMILESO=C1[C@H](Sc2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C22H19NOS/c24-22-21(25-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)23(22)16-17-10-4-1-5-11-17/h1-15,20-21H,16H2/t20-,21-/m1/s1
InChIKeyOZUQIUMUEYDFKV-NHCUHLMSSA-N
MW345.47 g/mol
LogP4.93
Rot. Bonds5

About (3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one

(3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one (PubChem CID 7314923) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one
PubChem CID7314923
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC Name(3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one
SMILESO=C1[C@H](Sc2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C22H19NOS/c24-22-21(25-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)23(22)16-17-10-4-1-5-11-17/h1-15,20-21H,16H2/t20-,21-/m1/s1
InChIKeyOZUQIUMUEYDFKV-NHCUHLMSSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one (CID 7314923) is (3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one is O=C1[C@H](Sc2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
The InChIKey is OZUQIUMUEYDFKV-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H19NOS/c24-22-21(25-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)23(22)16-17-10-4-1-5-11-17/h1-15,20-21H,16H2/t20-,21-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
(3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one has a molecular weight of 345.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-phenyl-3-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 7314923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).