(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one

C18H19NO4S — CID 53493590

IUPAC(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one
SMILESCOc1ccc([C@@H]2[C@H](S(C)=O)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO4S/c1-22-14-8-4-12(5-9-14)16-17(24(3)21)18(20)19(16)13-6-10-15(23-2)11-7-13/h4-11,16-17H,1-3H3/t16-,17+,24?/m1/s1
InChIKeyFRAWBWPTORAOMG-GZGKXBPWSA-N
MW345.42 g/mol
LogP2.54
Rot. Bonds5

About (3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one

(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one (PubChem CID 53493590) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is (3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one
PubChem CID53493590
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one
SMILESCOc1ccc([C@@H]2[C@H](S(C)=O)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO4S/c1-22-14-8-4-12(5-9-14)16-17(24(3)21)18(20)19(16)13-6-10-15(23-2)11-7-13/h4-11,16-17H,1-3H3/t16-,17+,24?/m1/s1
InChIKeyFRAWBWPTORAOMG-GZGKXBPWSA-N
XLogP2.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
(3S,4S)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 56963906
(4R)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 144520050
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3S,4R)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273364
(3R,4S)-3-(4-hydroxyphenoxy)-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 102273363
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one?
The IUPAC name of (3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one (CID 53493590) is (3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one?
The canonical SMILES for (3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one is COc1ccc([C@@H]2[C@H](S(C)=O)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one?
The InChIKey is FRAWBWPTORAOMG-GZGKXBPWSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-22-14-8-4-12(5-9-14)16-17(24(3)21)18(20)19(16)13-6-10-15(23-2)11-7-13/h4-11,16-17H,1-3H3/t16-,17+,24?/m1/s1.
What are the key properties of (3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one?
(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one has a molecular weight of 345.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one is sourced from PubChem (CID 53493590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).