[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate

C12H16N2O4S — CID 2998730

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C12H16N2O4S/c1-8(2)13-12(17)14-10(15)6-18-11(16)5-9-3-4-19-7-9/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15,17)
InChIKeyBGCSSQYQMMCTBG-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.07
Rot. Bonds5

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate (PubChem CID 2998730) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate
PubChem CID2998730
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C12H16N2O4S/c1-8(2)13-12(17)14-10(15)6-18-11(16)5-9-3-4-19-7-9/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15,17)
InChIKeyBGCSSQYQMMCTBG-UHFFFAOYSA-N
XLogP1.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2999349
[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-thiophen-3-ylpropanoate
CID 8959319
[2-(Ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2628073
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2640476
[2-Oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 3547119
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3948475
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2494314
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591030
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591033
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591035
[2-(3-Methylbutylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591042
[2-(Cyclopropylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591074

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate (CID 2998730) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate is CC(C)NC(=O)NC(=O)COC(=O)Cc1ccsc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate?
The InChIKey is BGCSSQYQMMCTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8(2)13-12(17)14-10(15)6-18-11(16)5-9-3-4-19-7-9/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15,17).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate has a molecular weight of 284.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2998730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).