3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione

C16H21N3O5S — CID 121160525

IUPAC3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C16H21N3O5S/c1-2-24-13-5-3-4-6-14(13)25(22,23)18-9-7-12(8-10-18)19-15(20)11-17-16(19)21/h3-6,12H,2,7-11H2,1H3,(H,17,21)
InChIKeyOGLWLBCMBXWKNL-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.79
Rot. Bonds5

About 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione

3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160525) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160525
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C16H21N3O5S/c1-2-24-13-5-3-4-6-14(13)25(22,23)18-9-7-12(8-10-18)19-15(20)11-17-16(19)21/h3-6,12H,2,7-11H2,1H3,(H,17,21)
InChIKeyOGLWLBCMBXWKNL-UHFFFAOYSA-N
XLogP0.79
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617489
1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522211
1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
CID 90617008
3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160518
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541
3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160382
3-(benzenesulfonyl)-1-(2-ethoxyphenyl)sulfonylpyrrolidine
CID 71805611
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121160578
4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190765
1-(2-ethoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592429

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione (CID 121160525) is 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione is CCOc1ccccc1S(=O)(=O)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is OGLWLBCMBXWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-2-24-13-5-3-4-6-14(13)25(22,23)18-9-7-12(8-10-18)19-15(20)11-17-16(19)21/h3-6,12H,2,7-11H2,1H3,(H,17,21).
What are the key properties of 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 367.43 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).