(3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one

C21H19NO3S — CID 162406089

IUPAC(3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one
SMILESCOc1ccc([C@]2(SC)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)cc1
InChIInChI=1S/C21H19NO3S/c1-24-17-12-10-15(11-13-17)21(26-2)19(18-9-6-14-25-18)22(20(21)23)16-7-4-3-5-8-16/h3-14,19H,1-2H3/t19-,21-/m1/s1
InChIKeyHLWRNKPHTOVDLG-TZIWHRDSSA-N
MW365.45 g/mol
LogP4.63
Rot. Bonds5

About (3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one

(3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one (PubChem CID 162406089) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is (3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one
PubChem CID162406089
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name(3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one
SMILESCOc1ccc([C@]2(SC)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)cc1
InChIInChI=1S/C21H19NO3S/c1-24-17-12-10-15(11-13-17)21(26-2)19(18-9-6-14-25-18)22(20(21)23)16-7-4-3-5-8-16/h3-14,19H,1-2H3/t19-,21-/m1/s1
InChIKeyHLWRNKPHTOVDLG-TZIWHRDSSA-N
XLogP4.63
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186
(3R,4R)-3-methylsulfanyl-1,3,4-triphenylazetidin-2-one
CID 162406085
ethyl (2S,3S)-2-(furan-2-yl)-1-(4-methoxyphenyl)-4-oxo-3-phenylsulfanylazetidine-3-carboxylate
CID 11502727
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
4-(furan-2-yl)-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
CID 73312428
actinium;(4R)-4-(furan-2-yl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 59880313
(2S)-2-(furan-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006450
4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium
CID 11092078
(3S,4R)-3-(4-methoxyphenyl)-1,4-diphenyl-3-(2-phenylprop-2-enyl)azetidin-2-one
CID 162417821
3-(furan-2-yl)-5-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 2866427
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055
(3S,4R)-4-(furan-2-yl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 134920379

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one?
The IUPAC name of (3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one (CID 162406089) is (3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one?
The canonical SMILES for (3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one is COc1ccc([C@]2(SC)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)cc1.
What is the InChIKey of (3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one?
The InChIKey is HLWRNKPHTOVDLG-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-24-17-12-10-15(11-13-17)21(26-2)19(18-9-6-14-25-18)22(20(21)23)16-7-4-3-5-8-16/h3-14,19H,1-2H3/t19-,21-/m1/s1.
What are the key properties of (3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one?
(3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one has a molecular weight of 365.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one is sourced from PubChem (CID 162406089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).