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

C24H23NO3S — CID 102160186

IUPAC(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@](SC)(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H23NO3S/c1-27-20-13-9-18(10-14-20)24(29-3)22(17-7-5-4-6-8-17)25(23(24)26)19-11-15-21(28-2)16-12-19/h4-16,22H,1-3H3/t22-,24+/m1/s1
InChIKeyDVTGFUHCDWCTQI-VWNXMTODSA-N
MW405.52 g/mol
LogP5.05
Rot. Bonds6

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

(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one (PubChem CID 102160186) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is (3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
PubChem CID102160186
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@](SC)(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H23NO3S/c1-27-20-13-9-18(10-14-20)24(29-3)22(17-7-5-4-6-8-17)25(23(24)26)19-11-15-21(28-2)16-12-19/h4-16,22H,1-3H3/t22-,24+/m1/s1
InChIKeyDVTGFUHCDWCTQI-VWNXMTODSA-N
XLogP5.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-methylsulfanyl-1,3,4-triphenylazetidin-2-one
CID 162406085
(3R,4R)-4-(furan-2-yl)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylazetidin-2-one
CID 162406089
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(3S,4R)-3-benzylsulfanyl-3-methoxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 101404324
(3R,4R)-3-benzylsulfanyl-3-(1H-indol-3-yl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102185380
(3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one
CID 100929834
(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
CID 101180542
(3S,4R)-3-(4-methoxyphenyl)-1,4-diphenyl-3-(2-phenylprop-2-enyl)azetidin-2-one
CID 162417821
4-[(2R,3R)-2-(4-methoxyphenyl)-3-methyl-4-oxo-1-phenylazetidin-3-yl]benzenediazonium
CID 11092078
3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 4195865
methyl 2-[1-(4-methoxyphenyl)-2-oxo-4-phenyl-3-phenylsulfanylazetidin-3-yl]propanoate
CID 24970409
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one (CID 102160186) is (3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one is COc1ccc(N2C(=O)[C@](SC)(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one?
The InChIKey is DVTGFUHCDWCTQI-VWNXMTODSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-27-20-13-9-18(10-14-20)24(29-3)22(17-7-5-4-6-8-17)25(23(24)26)19-11-15-21(28-2)16-12-19/h4-16,22H,1-3H3/t22-,24+/m1/s1.
What are the key properties of (3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one?
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one has a molecular weight of 405.52 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one is sourced from PubChem (CID 102160186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).