ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate

C19H25N3O6S — CID 7557987

IUPACethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)sc(C)c1CC
InChIInChI=1S/C19H25N3O6S/c1-6-12-11(5)29-15(14(12)18(26)28-7-2)20-13(23)9-22-17(25)16(24)21(19(22)27)8-10(3)4/h10H,6-9H2,1-5H3,(H,20,23)
InChIKeyARGFOJAIBGFOJG-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.18
Rot. Bonds8

About ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate

ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate (PubChem CID 7557987) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
PubChem CID7557987
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Nameethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)sc(C)c1CC
InChIInChI=1S/C19H25N3O6S/c1-6-12-11(5)29-15(14(12)18(26)28-7-2)20-13(23)9-22-17(25)16(24)21(19(22)27)8-10(3)4/h10H,6-9H2,1-5H3,(H,20,23)
InChIKeyARGFOJAIBGFOJG-UHFFFAOYSA-N
XLogP2.18
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.18
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'}

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Related Compounds

ethyl 2-(3-aminobutanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119677230
ethyl 2-[(2-bromoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 60651187
ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 86854578
ethyl 2-(2-chloropropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 43132157
ethyl 2-(3-aminopropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119264652
ethyl 4-ethyl-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
CID 55304259
methyl 4,5-dimethyl-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 8626312
[2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 55325244
ethyl 2-(5-bromopentanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 103601669
ethyl 4-ethyl-5-methyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate
CID 40881144
ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 42898024
propan-2-yl 4-ethyl-2-[[5-[(4-ethyl-5-methyl-3-propan-2-yloxycarbonylthiophen-2-yl)amino]-5-oxopentanoyl]amino]-5-methylthiophene-3-carboxylate
CID 5144166

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate (CID 7557987) is ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)sc(C)c1CC.
What is the InChIKey of ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is ARGFOJAIBGFOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-6-12-11(5)29-15(14(12)18(26)28-7-2)20-13(23)9-22-17(25)16(24)21(19(22)27)8-10(3)4/h10H,6-9H2,1-5H3,(H,20,23).
What are the key properties of ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 2.18, 8 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-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7557987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).