[2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C11H14N2O4S — CID 2628073

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCCNC(=O)NC(=O)COC(=O)c1sccc1C
InChIInChI=1S/C11H14N2O4S/c1-3-12-11(16)13-8(14)6-17-10(15)9-7(2)4-5-18-9/h4-5H,3,6H2,1-2H3,(H2,12,13,14,16)
InChIKeyIQFSYWODYQRRNR-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.06
Rot. Bonds4

About [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2628073) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2628073
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCCNC(=O)NC(=O)COC(=O)c1sccc1C
InChIInChI=1S/C11H14N2O4S/c1-3-12-11(16)13-8(14)6-17-10(15)9-7(2)4-5-18-9/h4-5H,3,6H2,1-2H3,(H2,12,13,14,16)
InChIKeyIQFSYWODYQRRNR-UHFFFAOYSA-N
XLogP1.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2628073) is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is CCNC(=O)NC(=O)COC(=O)c1sccc1C.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is IQFSYWODYQRRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-3-12-11(16)13-8(14)6-17-10(15)9-7(2)4-5-18-9/h4-5H,3,6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2628073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).