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

C23H21NOS — CID 14416379

IUPAC1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one
SMILESO=C1C(SCc2ccccc2)C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H21NOS/c25-23-22(26-17-19-12-6-2-7-13-19)21(20-14-8-3-9-15-20)24(23)16-18-10-4-1-5-11-18/h1-15,21-22H,16-17H2
InChIKeyXOBBBDHZUVFJKM-UHFFFAOYSA-N
MW359.49 g/mol
LogP5.07
Rot. Bonds6

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

1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one (PubChem CID 14416379) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one
PubChem CID14416379
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC Name1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one
SMILESO=C1C(SCc2ccccc2)C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H21NOS/c25-23-22(26-17-19-12-6-2-7-13-19)21(20-14-8-3-9-15-20)24(23)16-18-10-4-1-5-11-18/h1-15,21-22H,16-17H2
InChIKeyXOBBBDHZUVFJKM-UHFFFAOYSA-N
XLogP5.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-2-phenylacetamide
CID 306760
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
6-Benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
CID 14869288
(3R,4S)-1-tert-butyl-4-phenyl-3-phenylsulfanylazetidin-2-one
CID 101397901

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one?
The IUPAC name of 1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one (CID 14416379) is 1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one.
What is the SMILES notation for 1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one?
The canonical SMILES for 1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one is O=C1C(SCc2ccccc2)C(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one?
The InChIKey is XOBBBDHZUVFJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NOS/c25-23-22(26-17-19-12-6-2-7-13-19)21(20-14-8-3-9-15-20)24(23)16-18-10-4-1-5-11-18/h1-15,21-22H,16-17H2.
What are the key properties of 1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one?
1-benzyl-3-benzylsulfanyl-4-phenylazetidin-2-one has a molecular weight of 359.49 g/mol, XLogP of 5.07, 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-4-phenylazetidin-2-one is sourced from PubChem (CID 14416379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).