3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C17H24N2O3S — CID 46580993

IUPAC3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc(C)cc(OCCSCCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C17H24N2O3S/c1-12-9-13(2)11-14(10-12)22-6-8-23-7-5-19-15(20)17(3,4)18-16(19)21/h9-11H,5-8H2,1-4H3,(H,18,21)
InChIKeyWLRKPIQLPCFSDI-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.75
Rot. Bonds7

About 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 46580993) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID46580993
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc(C)cc(OCCSCCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C17H24N2O3S/c1-12-9-13(2)11-14(10-12)22-6-8-23-7-5-19-15(20)17(3,4)18-16(19)21/h9-11H,5-8H2,1-4H3,(H,18,21)
InChIKeyWLRKPIQLPCFSDI-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 46580993) is 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1cc(C)cc(OCCSCCN2C(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is WLRKPIQLPCFSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-9-13(2)11-14(10-12)22-6-8-23-7-5-19-15(20)17(3,4)18-16(19)21/h9-11H,5-8H2,1-4H3,(H,18,21).
What are the key properties of 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 336.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 46580993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).