ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate

C18H23N3O6S — CID 7975786

IUPACethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)sc(C)c1CC
InChIInChI=1S/C18H23N3O6S/c1-6-11-10(5)28-14(13(11)17(25)27-7-2)19-12(22)8-20-15(23)16(24)21(9(3)4)18(20)26/h9H,6-8H2,1-5H3,(H,19,22)
InChIKeyODDMKJGSQMTPFO-UHFFFAOYSA-N
MW409.46 g/mol
LogP1.93
Rot. Bonds7

About ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 7975786) has the molecular formula C18H23N3O6S and a molecular weight of 409.46 g/mol. Its IUPAC name is ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID7975786
Molecular FormulaC18H23N3O6S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Nameethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)sc(C)c1CC
InChIInChI=1S/C18H23N3O6S/c1-6-11-10(5)28-14(13(11)17(25)27-7-2)19-12(22)8-20-15(23)16(24)21(9(3)4)18(20)26/h9H,6-8H2,1-5H3,(H,19,22)
InChIKeyODDMKJGSQMTPFO-UHFFFAOYSA-N
XLogP1.93
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate 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 ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 7975786) is ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)sc(C)c1CC.
What is the InChIKey of ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is ODDMKJGSQMTPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S/c1-6-11-10(5)28-14(13(11)17(25)27-7-2)19-12(22)8-20-15(23)16(24)21(9(3)4)18(20)26/h9H,6-8H2,1-5H3,(H,19,22).
What are the key properties of ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 409.46 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-methyl-2-[[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7975786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).