[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate

C11H12N2O4S — CID 30402187

IUPAC[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate
SMILESC=CCNC(=O)NC(=O)COC(=O)c1ccsc1
InChIInChI=1S/C11H12N2O4S/c1-2-4-12-11(16)13-9(14)6-17-10(15)8-3-5-18-7-8/h2-3,5,7H,1,4,6H2,(H2,12,13,14,16)
InChIKeyZCVZLLIOEKTRCA-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.92
Rot. Bonds5

About [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate (PubChem CID 30402187) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate
PubChem CID30402187
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate
SMILESC=CCNC(=O)NC(=O)COC(=O)c1ccsc1
InChIInChI=1S/C11H12N2O4S/c1-2-4-12-11(16)13-9(14)6-17-10(15)8-3-5-18-7-8/h2-3,5,7H,1,4,6H2,(H2,12,13,14,16)
InChIKeyZCVZLLIOEKTRCA-UHFFFAOYSA-N
XLogP0.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-thiophen-3-ylpropanoate
CID 30060919
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-iodobenzoate
CID 2628667
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-chlorobenzoate
CID 2628119
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-(methylsulfonylmethyl)benzoate
CID 41238598
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 1,3-benzodioxole-5-carboxylate
CID 2628699
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2635010
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate
CID 2628622
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2,4-difluorobenzoate
CID 2630450
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methoxy-3-nitrobenzoate
CID 2631007
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 18777292
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833340
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7540380

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate?
The IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate (CID 30402187) is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate?
The canonical SMILES for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate is C=CCNC(=O)NC(=O)COC(=O)c1ccsc1.
What is the InChIKey of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate?
The InChIKey is ZCVZLLIOEKTRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-2-4-12-11(16)13-9(14)6-17-10(15)8-3-5-18-7-8/h2-3,5,7H,1,4,6H2,(H2,12,13,14,16).
What are the key properties of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate?
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate has a molecular weight of 268.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] thiophene-3-carboxylate is sourced from PubChem (CID 30402187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).