3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione

C14H18N2O2S — CID 39045021

IUPAC3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(SCCN2C(=O)CNC2=O)cc1
InChIInChI=1S/C14H18N2O2S/c1-10(2)11-3-5-12(6-4-11)19-8-7-16-13(17)9-15-14(16)18/h3-6,10H,7-9H2,1-2H3,(H,15,18)
InChIKeyQXWFZBQECQCCNB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.45
Rot. Bonds5

About 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione

3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 39045021) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione
PubChem CID39045021
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(SCCN2C(=O)CNC2=O)cc1
InChIInChI=1S/C14H18N2O2S/c1-10(2)11-3-5-12(6-4-11)19-8-7-16-13(17)9-15-14(16)18/h3-6,10H,7-9H2,1-2H3,(H,15,18)
InChIKeyQXWFZBQECQCCNB-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione (CID 39045021) is 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione is CC(C)c1ccc(SCCN2C(=O)CNC2=O)cc1.
What is the InChIKey of 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is QXWFZBQECQCCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(2)11-3-5-12(6-4-11)19-8-7-16-13(17)9-15-14(16)18/h3-6,10H,7-9H2,1-2H3,(H,15,18).
What are the key properties of 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione?
3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 278.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 39045021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).