ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

C19H25N3O6S — CID 7738310

IUPACethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2sc(C)c(CC)c2C(=O)OCC)C1=O
InChIInChI=1S/C19H25N3O6S/c1-5-8-9-21-16(24)17(25)22(19(21)27)10-13(23)20-15-14(18(26)28-7-3)12(6-2)11(4)29-15/h5-10H2,1-4H3,(H,20,23)
InChIKeyNSZMUNHZYBMIIK-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.33
Rot. Bonds9

About ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 7738310) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID7738310
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Nameethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2sc(C)c(CC)c2C(=O)OCC)C1=O
InChIInChI=1S/C19H25N3O6S/c1-5-8-9-21-16(24)17(25)22(19(21)27)10-13(23)20-15-14(18(26)28-7-3)12(6-2)11(4)29-15/h5-10H2,1-4H3,(H,20,23)
InChIKeyNSZMUNHZYBMIIK-UHFFFAOYSA-N
XLogP2.33
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (CID 7738310) is ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is CCCCN1C(=O)C(=O)N(CC(=O)Nc2sc(C)c(CC)c2C(=O)OCC)C1=O.
What is the InChIKey of ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is NSZMUNHZYBMIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-5-8-9-21-16(24)17(25)22(19(21)27)10-13(23)20-15-14(18(26)28-7-3)12(6-2)11(4)29-15/h5-10H2,1-4H3,(H,20,23).
What are the key properties of ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 7738310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).