5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione

C21H24N2O5S — CID 139004986

IUPAC5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CCCS(=O)(=O)c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C21H24N2O5S/c1-15-6-4-7-18(14-15)29(26,27)13-5-12-23-19(24)21(2,22-20(23)25)16-8-10-17(28-3)11-9-16/h4,6-11,14H,5,12-13H2,1-3H3,(H,22,25)
InChIKeyFYZBXRIGDLEVKM-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.63
Rot. Bonds7

About 5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione

5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione (PubChem CID 139004986) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione
PubChem CID139004986
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CCCS(=O)(=O)c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C21H24N2O5S/c1-15-6-4-7-18(14-15)29(26,27)13-5-12-23-19(24)21(2,22-20(23)25)16-8-10-17(28-3)11-9-16/h4,6-11,14H,5,12-13H2,1-3H3,(H,22,25)
InChIKeyFYZBXRIGDLEVKM-UHFFFAOYSA-N
XLogP2.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 139004992
(5R)-3-[3-(4-methoxyphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 38853269
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 94081397
5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione
CID 18267863
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
3-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 45354786
(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 8943293
(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2562741
5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 4877059
N-(2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16547541
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione (CID 139004986) is 5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(CCCS(=O)(=O)c3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione?
The InChIKey is FYZBXRIGDLEVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-15-6-4-7-18(14-15)29(26,27)13-5-12-23-19(24)21(2,22-20(23)25)16-8-10-17(28-3)11-9-16/h4,6-11,14H,5,12-13H2,1-3H3,(H,22,25).
What are the key properties of 5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione?
5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione has a molecular weight of 416.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 139004986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).