3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione

C13H15ClN2O3S — CID 2416925

IUPAC3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C13H15ClN2O3S/c1-3-13(4-2)11(18)16(12(19)15-13)7-8(17)9-5-6-10(14)20-9/h5-6H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyVAONUUPBLIWRDC-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.69
Rot. Bonds5

About 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione

3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 2416925) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID2416925
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C13H15ClN2O3S/c1-3-13(4-2)11(18)16(12(19)15-13)7-8(17)9-5-6-10(14)20-9/h5-6H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyVAONUUPBLIWRDC-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione (CID 2416925) is 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is VAONUUPBLIWRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-3-13(4-2)11(18)16(12(19)15-13)7-8(17)9-5-6-10(14)20-9/h5-6H,3-4,7H2,1-2H3,(H,15,19).
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione?
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 314.79 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 2416925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).