(3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one

C24H23NO3S — CID 154585966

IUPAC(3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one
SMILESCOc1ccc([C@H]2[C@H](Sc3ccc(C)cc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23NO3S/c1-16-4-14-21(15-5-16)29-23-22(17-6-10-19(27-2)11-7-17)25(24(23)26)18-8-12-20(28-3)13-9-18/h4-15,22-23H,1-3H3/t22-,23-/m0/s1
InChIKeySUQODRGODFNBAY-GOTSBHOMSA-N
MW405.52 g/mol
LogP5.26
Rot. Bonds6

About (3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one

(3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one (PubChem CID 154585966) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is (3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one
PubChem CID154585966
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name(3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one
SMILESCOc1ccc([C@H]2[C@H](Sc3ccc(C)cc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23NO3S/c1-16-4-14-21(15-5-16)29-23-22(17-6-10-19(27-2)11-7-17)25(24(23)26)18-8-12-20(28-3)13-9-18/h4-15,22-23H,1-3H3/t22-,23-/m0/s1
InChIKeySUQODRGODFNBAY-GOTSBHOMSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583
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,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
methyl (Z)-3-[[(2R,3S)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]amino]but-2-enoate
CID 13331759
(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one
CID 10691765
(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one
CID 53493590
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
7,14-bis(4-methoxyphenyl)-4,11-bis(4-methylphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 5137894
4-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxothiomorpholine-2-carboxylic acid
CID 171320510

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one?
The IUPAC name of (3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one (CID 154585966) is (3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one.
What is the SMILES notation for (3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one?
The canonical SMILES for (3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one is COc1ccc([C@H]2[C@H](Sc3ccc(C)cc3)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one?
The InChIKey is SUQODRGODFNBAY-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-16-4-14-21(15-5-16)29-23-22(17-6-10-19(27-2)11-7-17)25(24(23)26)18-8-12-20(28-3)13-9-18/h4-15,22-23H,1-3H3/t22-,23-/m0/s1.
What are the key properties of (3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one?
(3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one has a molecular weight of 405.52 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one is sourced from PubChem (CID 154585966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).