[2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate

C8H8N2O4S — CID 2413192

IUPAC[2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1cccs1
InChIInChI=1S/C8H8N2O4S/c9-8(13)10-6(11)4-14-7(12)5-2-1-3-15-5/h1-3H,4H2,(H3,9,10,11,13)
InChIKeyXVCCHAZOGKJSPF-UHFFFAOYSA-N
MW228.23 g/mol
LogP0.10
Rot. Bonds3

About [2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate

[2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2413192) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2413192
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESNC(=O)NC(=O)COC(=O)c1cccs1
InChIInChI=1S/C8H8N2O4S/c9-8(13)10-6(11)4-14-7(12)5-2-1-3-15-5/h1-3H,4H2,(H3,9,10,11,13)
InChIKeyXVCCHAZOGKJSPF-UHFFFAOYSA-N
XLogP0.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2410803
[2-[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2092345
(2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate
CID 2386750
(2-Amino-2-oxoethyl) 5-methylthiophene-2-carboxylate
CID 2429049
[2-(Methylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 2435348
[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methylthiophene-2-carboxylate
CID 26734255
[2-(Cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 2373948
[2-(Tert-butylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2407394
[2-(Methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2421416
[2-Oxo-2-(propylamino)ethyl] thiophene-2-carboxylate
CID 2423569
[2-(Ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2628073
[2-(Ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 2630244

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 2413192) is [2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate is NC(=O)NC(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is XVCCHAZOGKJSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S/c9-8(13)10-6(11)4-14-7(12)5-2-1-3-15-5/h1-3H,4H2,(H3,9,10,11,13).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 228.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2413192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).