[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

C14H13N3O4S — CID 17472242

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate
SMILESO=C(OCC(=O)N1CCNC1=O)c1sccc1-n1cccc1
InChIInChI=1S/C14H13N3O4S/c18-11(17-7-4-15-14(17)20)9-21-13(19)12-10(3-8-22-12)16-5-1-2-6-16/h1-3,5-6,8H,4,7,9H2,(H,15,20)
InChIKeyOHWWUDJQJANQDA-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.25
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate (PubChem CID 17472242) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate
PubChem CID17472242
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate
SMILESO=C(OCC(=O)N1CCNC1=O)c1sccc1-n1cccc1
InChIInChI=1S/C14H13N3O4S/c18-11(17-7-4-15-14(17)20)9-21-13(19)12-10(3-8-22-12)16-5-1-2-6-16/h1-3,5-6,8H,4,7,9H2,(H,15,20)
InChIKeyOHWWUDJQJANQDA-UHFFFAOYSA-N
XLogP1.25
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate (CID 17472242) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate is O=C(OCC(=O)N1CCNC1=O)c1sccc1-n1cccc1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate?
The InChIKey is OHWWUDJQJANQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c18-11(17-7-4-15-14(17)20)9-21-13(19)12-10(3-8-22-12)16-5-1-2-6-16/h1-3,5-6,8H,4,7,9H2,(H,15,20).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate has a molecular weight of 319.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate is sourced from PubChem (CID 17472242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).