1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one

C24H23NOS — CID 14416383

IUPAC1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one
SMILESCC1(SCc2ccccc2)C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H23NOS/c1-24(27-18-20-13-7-3-8-14-20)22(21-15-9-4-10-16-21)25(23(24)26)17-19-11-5-2-6-12-19/h2-16,22H,17-18H2,1H3
InChIKeyLQUDYJNMMSGJMI-UHFFFAOYSA-N
MW373.52 g/mol
LogP5.46
Rot. Bonds6

About 1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one

1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one (PubChem CID 14416383) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one
PubChem CID14416383
Molecular FormulaC24H23NOS
Molecular Weight373.52 g/mol
Exact Mass373.15
IUPAC Name1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one
SMILESCC1(SCc2ccccc2)C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H23NOS/c1-24(27-18-20-13-7-3-8-14-20)22(21-15-9-4-10-16-21)25(23(24)26)17-19-11-5-2-6-12-19/h2-16,22H,17-18H2,1H3
InChIKeyLQUDYJNMMSGJMI-UHFFFAOYSA-N
XLogP5.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-N-methyl-2-methylsulfanylbenzamide
CID 4783727
2-Methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 44825476
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide
CID 4787633
Benzamide, N-(alpha-((benzylthio)methyl)phenethyl)-
CID 205937
(3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one
CID 122232903
(3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one
CID 122232904
(3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one
CID 122232907
(3S,4R)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one
CID 122232909
(3S,4R)-1-benzyl-3-fluoro-3-(3-fluorophenyl)-4-phenylazetidin-2-one
CID 122232912
(3S,4R)-1-benzyl-3-fluoro-3-(2-methylphenyl)-4-phenylazetidin-2-one
CID 122232914
Rel-(3R,4S)-1-benzyl-3-[(4-fluorophenyl)sulfonyl]-3-methyl-4-phenyl-2-azetidinone
CID 155937028
(3R)-1-benzyl-3-(4-fluorophenyl)sulfonyl-3-methyl-4-phenylazetidin-2-one
CID 155937095

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one?
The IUPAC name of 1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one (CID 14416383) is 1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one.
What is the SMILES notation for 1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one?
The canonical SMILES for 1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one is CC1(SCc2ccccc2)C(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one?
The InChIKey is LQUDYJNMMSGJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NOS/c1-24(27-18-20-13-7-3-8-14-20)22(21-15-9-4-10-16-21)25(23(24)26)17-19-11-5-2-6-12-19/h2-16,22H,17-18H2,1H3.
What are the key properties of 1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one?
1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one has a molecular weight of 373.52 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-benzylsulfanyl-3-methyl-4-phenylazetidin-2-one is sourced from PubChem (CID 14416383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).