1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one

C28H25NO2S — CID 11647858

IUPAC1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(c3ccc(C)cc3)(c3ccc(C)cc3)C2c2cccs2)cc1
InChIInChI=1S/C28H25NO2S/c1-19-6-10-21(11-7-19)28(22-12-8-20(2)9-13-22)26(25-5-4-18-32-25)29(27(28)30)23-14-16-24(31-3)17-15-23/h4-18,26H,1-3H3
InChIKeyVZGUUYMNTKSUSM-UHFFFAOYSA-N
MW439.58 g/mol
LogP6.45
Rot. Bonds5

About 1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one

1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one (PubChem CID 11647858) has the molecular formula C28H25NO2S and a molecular weight of 439.58 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one
PubChem CID11647858
Molecular FormulaC28H25NO2S
Molecular Weight439.58 g/mol
Exact Mass439.16
IUPAC Name1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(c3ccc(C)cc3)(c3ccc(C)cc3)C2c2cccs2)cc1
InChIInChI=1S/C28H25NO2S/c1-19-6-10-21(11-7-19)28(22-12-8-20(2)9-13-22)26(25-5-4-18-32-25)29(27(28)30)23-14-16-24(31-3)17-15-23/h4-18,26H,1-3H3
InChIKeyVZGUUYMNTKSUSM-UHFFFAOYSA-N
XLogP6.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one
CID 155937048
1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769473
3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285697
(4Z)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108622597
(4Z)-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-1-(4-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108623006
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(2R,6S,7R,9S,13S,14S)-4,11-bis(4-methoxyphenyl)-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 99663781
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 4195865
(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione
CID 175653518

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one (CID 11647858) is 1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one is COc1ccc(N2C(=O)C(c3ccc(C)cc3)(c3ccc(C)cc3)C2c2cccs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one?
The InChIKey is VZGUUYMNTKSUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2S/c1-19-6-10-21(11-7-19)28(22-12-8-20(2)9-13-22)26(25-5-4-18-32-25)29(27(28)30)23-14-16-24(31-3)17-15-23/h4-18,26H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one?
1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one has a molecular weight of 439.58 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-4-thiophen-2-ylazetidin-2-one is sourced from PubChem (CID 11647858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).