(2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C15H18N2O5S — CID 7691440

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cccs2)C1=O
InChIInChI=1S/C15H18N2O5S/c1-3-15(4-2)13(20)17(14(21)16-15)8-12(19)22-9-10(18)11-6-5-7-23-11/h5-7H,3-4,8-9H2,1-2H3,(H,16,21)
InChIKeyYCQLTECOMQSCII-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.58
Rot. Bonds7

About (2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

(2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 7691440) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID7691440
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cccs2)C1=O
InChIInChI=1S/C15H18N2O5S/c1-3-15(4-2)13(20)17(14(21)16-15)8-12(19)22-9-10(18)11-6-5-7-23-11/h5-7H,3-4,8-9H2,1-2H3,(H,16,21)
InChIKeyYCQLTECOMQSCII-UHFFFAOYSA-N
XLogP1.58
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-2-thiophen-2-ylethyl) 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652194
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487046
(2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 7711524
(2-anilino-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2557134
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691332
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794140
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691129
[2-(2-acetylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487061
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487182
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8946850
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691482
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691141

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 7691440) is (2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cccs2)C1=O.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is YCQLTECOMQSCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-3-15(4-2)13(20)17(14(21)16-15)8-12(19)22-9-10(18)11-6-5-7-23-11/h5-7H,3-4,8-9H2,1-2H3,(H,16,21).
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
(2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 338.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 7691440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).