5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione

C23H34N4O5S — CID 38073079

IUPAC5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)CC2)c1C
InChIInChI=1S/C23H34N4O5S/c1-15-14-16(2)18(4)20(17(15)3)33(31,32)26-12-10-25(11-13-26)19(28)8-7-9-27-21(29)23(5,6)24-22(27)30/h14H,7-13H2,1-6H3,(H,24,30)
InChIKeyWOHGQKGCCUVVGJ-UHFFFAOYSA-N
MW478.62 g/mol
LogP1.86
Rot. Bonds6

About 5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione (PubChem CID 38073079) has the molecular formula C23H34N4O5S and a molecular weight of 478.62 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione
PubChem CID38073079
Molecular FormulaC23H34N4O5S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC Name5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)CC2)c1C
InChIInChI=1S/C23H34N4O5S/c1-15-14-16(2)18(4)20(17(15)3)33(31,32)26-12-10-25(11-13-26)19(28)8-7-9-27-21(29)23(5,6)24-22(27)30/h14H,7-13H2,1-6H3,(H,24,30)
InChIKeyWOHGQKGCCUVVGJ-UHFFFAOYSA-N
XLogP1.86
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 51.86
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

2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
3-(2-methylpropoxy)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 39271680
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9221068
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817632
1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405047
3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43393443
[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl] 2-ethoxyacetate
CID 9289619
4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol
CID 81097436
3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 55441904
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9221061
(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674216

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione (CID 38073079) is 5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)CC2)c1C.
What is the InChIKey of 5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione?
The InChIKey is WOHGQKGCCUVVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5S/c1-15-14-16(2)18(4)20(17(15)3)33(31,32)26-12-10-25(11-13-26)19(28)8-7-9-27-21(29)23(5,6)24-22(27)30/h14H,7-13H2,1-6H3,(H,24,30).
What are the key properties of 5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione has a molecular weight of 478.62 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 38073079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).