(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one

C24H23NO2S — CID 10691765

IUPAC(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@H](SCCc3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H23NO2S/c1-27-21-14-12-19(13-15-21)22-23(28-17-16-18-8-4-2-5-9-18)24(26)25(22)20-10-6-3-7-11-20/h2-15,22-23H,16-17H2,1H3/t22-,23+/m1/s1
InChIKeyHAIJXFKTMIWERT-PKTZIBPZSA-N
MW389.52 g/mol
LogP5.13
Rot. Bonds7

About (3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one

(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one (PubChem CID 10691765) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is (3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one
PubChem CID10691765
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@H](SCCc3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H23NO2S/c1-27-21-14-12-19(13-15-21)22-23(28-17-16-18-8-4-2-5-9-18)24(26)25(22)20-10-6-3-7-11-20/h2-15,22-23H,16-17H2,1H3/t22-,23+/m1/s1
InChIKeyHAIJXFKTMIWERT-PKTZIBPZSA-N
XLogP5.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583
3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 22460134
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 102159226
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 11661663
(3R,4S)-1-(4-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(3-phenylpropyl)azetidin-2-one
CID 10646916
(3R,4S)-1-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10671216

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one?
The IUPAC name of (3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one (CID 10691765) is (3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one is COc1ccc([C@@H]2[C@H](SCCc3ccccc3)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one?
The InChIKey is HAIJXFKTMIWERT-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-27-21-14-12-19(13-15-21)22-23(28-17-16-18-8-4-2-5-9-18)24(26)25(22)20-10-6-3-7-11-20/h2-15,22-23H,16-17H2,1H3/t22-,23+/m1/s1.
What are the key properties of (3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one?
(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one has a molecular weight of 389.52 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one is sourced from PubChem (CID 10691765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).