(3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one

C24H21NOS — CID 102101655

IUPAC(3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESO=C1[C@@H](SCc2ccccc2)[C@@H](/C=C/c2ccccc2)N1c1ccccc1
InChIInChI=1S/C24H21NOS/c26-24-23(27-18-20-12-6-2-7-13-20)22(17-16-19-10-4-1-5-11-19)25(24)21-14-8-3-9-15-21/h1-17,22-23H,18H2/b17-16+/t22-,23+/m1/s1
InChIKeyFZMFJARVIDKTRH-QXDWNANASA-N
MW371.51 g/mol
LogP5.42
Rot. Bonds6

About (3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one

(3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one (PubChem CID 102101655) has the molecular formula C24H21NOS and a molecular weight of 371.51 g/mol. Its IUPAC name is (3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one
PubChem CID102101655
Molecular FormulaC24H21NOS
Molecular Weight371.51 g/mol
Exact Mass371.13
IUPAC Name(3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESO=C1[C@@H](SCc2ccccc2)[C@@H](/C=C/c2ccccc2)N1c1ccccc1
InChIInChI=1S/C24H21NOS/c26-24-23(27-18-20-12-6-2-7-13-20)22(17-16-19-10-4-1-5-11-19)25(24)21-14-8-3-9-15-21/h1-17,22-23H,18H2/b17-16+/t22-,23+/m1/s1
InChIKeyFZMFJARVIDKTRH-QXDWNANASA-N
XLogP5.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one (CID 102101655) is (3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one is O=C1[C@@H](SCc2ccccc2)[C@@H](/C=C/c2ccccc2)N1c1ccccc1.
What is the InChIKey of (3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one?
The InChIKey is FZMFJARVIDKTRH-QXDWNANASA-N. The full InChI is InChI=1S/C24H21NOS/c26-24-23(27-18-20-12-6-2-7-13-20)22(17-16-19-10-4-1-5-11-19)25(24)21-14-8-3-9-15-21/h1-17,22-23H,18H2/b17-16+/t22-,23+/m1/s1.
What are the key properties of (3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one?
(3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one has a molecular weight of 371.51 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-benzylsulfanyl-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 102101655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).