(3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one

C20H23NO2S — CID 11727575

IUPAC(3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1CSc1ccccc1
InChIInChI=1S/C20H23NO2S/c1-14(16-9-5-3-6-10-16)21-18(19(15(2)22)20(21)23)13-24-17-11-7-4-8-12-17/h3-12,14-15,18-19,22H,13H2,1-2H3/t14-,15+,18+,19+/m0/s1
InChIKeyCGRCVVQXQPBSDO-OSGQAZFXSA-N
MW341.48 g/mol
LogP3.75
Rot. Bonds6

About (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one

(3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one (PubChem CID 11727575) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one
PubChem CID11727575
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1CSc1ccccc1
InChIInChI=1S/C20H23NO2S/c1-14(16-9-5-3-6-10-16)21-18(19(15(2)22)20(21)23)13-24-17-11-7-4-8-12-17/h3-12,14-15,18-19,22H,13H2,1-2H3/t14-,15+,18+,19+/m0/s1
InChIKeyCGRCVVQXQPBSDO-OSGQAZFXSA-N
XLogP3.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-hydroxy-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-2-one
CID 24789462
(3R,4S)-1-tert-butyl-4-phenyl-3-phenylsulfanylazetidin-2-one
CID 101397901
[(1S)-1-[(2S,3S)-2-[bis(phenylsulfanyl)methyl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]ethyl] acetate
CID 11092190
[(1S)-1-[(2R,3R)-2-[bis(phenylsulfanyl)methyl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]ethyl] acetate
CID 11134748
(4S,5R)-1-benzyl-4-hydroxy-5-phenylsulfanylpyrrolidin-2-one
CID 11822682
(4S,5R)-1-benzyl-5-[dimethylidene(phenyl)-lambda6-sulfanyl]-4-hydroxypyrrolidin-2-one
CID 134864004
(4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one
CID 134918440
5-Hydroxy-1-(1-phenyl-3-phenylsulfanylpropan-2-yl)azepan-2-one
CID 73756890
(3S,4S)-1-Benzyl-3-[(1S)-1-hydroxyethyl]-4-(2-phenylvinyl)-2-azetidinone
CID 15298189
(3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one
CID 15624091
(3S,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
CID 58843841
(3R,4S)-1-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
CID 58843854

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one (CID 11727575) is (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one is C[C@@H](O)[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1CSc1ccccc1.
What is the InChIKey of (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one?
The InChIKey is CGRCVVQXQPBSDO-OSGQAZFXSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-14(16-9-5-3-6-10-16)21-18(19(15(2)22)20(21)23)13-24-17-11-7-4-8-12-17/h3-12,14-15,18-19,22H,13H2,1-2H3/t14-,15+,18+,19+/m0/s1.
What are the key properties of (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one?
(3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one has a molecular weight of 341.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(1R)-1-hydroxyethyl]-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one is sourced from PubChem (CID 11727575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).