[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate

C12H16N2O4S — CID 3547119

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1sccc1C
InChIInChI=1S/C12H16N2O4S/c1-3-5-13-12(17)14-9(15)7-18-11(16)10-8(2)4-6-19-10/h4,6H,3,5,7H2,1-2H3,(H2,13,14,15,17)
InChIKeyYXIWQYCUMOVIBD-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.45
Rot. Bonds5

About [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate

[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate (PubChem CID 3547119) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate
PubChem CID3547119
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1sccc1C
InChIInChI=1S/C12H16N2O4S/c1-3-5-13-12(17)14-9(15)7-18-11(16)10-8(2)4-6-19-10/h4,6H,3,5,7H2,1-2H3,(H2,13,14,15,17)
InChIKeyYXIWQYCUMOVIBD-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate (CID 3547119) is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate is CCCNC(=O)NC(=O)COC(=O)c1sccc1C.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is YXIWQYCUMOVIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-5-13-12(17)14-9(15)7-18-11(16)10-8(2)4-6-19-10/h4,6H,3,5,7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 3547119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).