5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione

C24H22N2O4S — CID 46435513

IUPAC5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)c2ccc(CN3C(=O)NC(C)(c4ccccc4)C3=O)cc2)cc1
InChIInChI=1S/C24H22N2O4S/c1-17-8-12-20(13-9-17)31(29,30)21-14-10-18(11-15-21)16-26-22(27)24(2,25-23(26)28)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,25,28)
InChIKeyMJIAUVWBESIPSC-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.80
Rot. Bonds5

About 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione

5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 46435513) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID46435513
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)c2ccc(CN3C(=O)NC(C)(c4ccccc4)C3=O)cc2)cc1
InChIInChI=1S/C24H22N2O4S/c1-17-8-12-20(13-9-17)31(29,30)21-14-10-18(11-15-21)16-26-22(27)24(2,25-23(26)28)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,25,28)
InChIKeyMJIAUVWBESIPSC-UHFFFAOYSA-N
XLogP3.80
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 78827274
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 4877614
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
3-[(2,6-dichlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 3887433

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione (CID 46435513) is 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione is Cc1ccc(S(=O)(=O)c2ccc(CN3C(=O)NC(C)(c4ccccc4)C3=O)cc2)cc1.
What is the InChIKey of 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is MJIAUVWBESIPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-17-8-12-20(13-9-17)31(29,30)21-14-10-18(11-15-21)16-26-22(27)24(2,25-23(26)28)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,25,28).
What are the key properties of 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione?
5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 434.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 46435513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).