5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione

C23H25N3O5S — CID 17412039

IUPAC5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C2C)cc1
InChIInChI=1S/C23H25N3O5S/c1-16-5-9-19(10-6-16)26-17(2)22(28)25(23(26)29)15-21(27)18-7-11-20(12-8-18)32(30,31)24-13-3-4-14-24/h5-12,17H,3-4,13-15H2,1-2H3
InChIKeyPIBKOOQHARQWME-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.82
Rot. Bonds6

About 5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione

5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 17412039) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID17412039
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C2C)cc1
InChIInChI=1S/C23H25N3O5S/c1-16-5-9-19(10-6-16)26-17(2)22(28)25(23(26)29)15-21(27)18-7-11-20(12-8-18)32(30,31)24-13-3-4-14-24/h5-12,17H,3-4,13-15H2,1-2H3
InChIKeyPIBKOOQHARQWME-UHFFFAOYSA-N
XLogP2.82
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]imidazolidine-2,4-dione
CID 2470328
(3aR,7aS)-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2578146
1-[2-(4-methylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 30343739
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 17407367
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
2-[(4-methylphenyl)methylamino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824134
2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 110366401
(5S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9207232
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
(5R)-3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 31797441
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16919059
(4-methylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557835

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione (CID 17412039) is 5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(CC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C2C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is PIBKOOQHARQWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-16-5-9-19(10-6-16)26-17(2)22(28)25(23(26)29)15-21(27)18-7-11-20(12-8-18)32(30,31)24-13-3-4-14-24/h5-12,17H,3-4,13-15H2,1-2H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione?
5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 455.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 17412039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).