[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

C12H14N2O4S — CID 7837773

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)s1
InChIInChI=1S/C12H14N2O4S/c1-7-2-5-9(19-7)11(16)18-6-10(15)14-12(17)13-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H2,13,14,15,17)
InChIKeyJSUSEBZOAGECDM-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.20
Rot. Bonds4

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 7837773) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID7837773
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)s1
InChIInChI=1S/C12H14N2O4S/c1-7-2-5-9(19-7)11(16)18-6-10(15)14-12(17)13-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H2,13,14,15,17)
InChIKeyJSUSEBZOAGECDM-UHFFFAOYSA-N
XLogP1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 7837773) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)s1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is JSUSEBZOAGECDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-7-2-5-9(19-7)11(16)18-6-10(15)14-12(17)13-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H2,13,14,15,17).
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 282.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 7837773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).