[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate

C12H16N2O4S — CID 2640476

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C12H16N2O4S/c1-7(2)13-12(17)14-9(15)6-18-11(16)10-8(3)4-5-19-10/h4-5,7H,6H2,1-3H3,(H2,13,14,15,17)
InChIKeyMSMVEQKYBLKWQY-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.45
Rot. Bonds4

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

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2640476) 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] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate
PubChem CID2640476
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C12H16N2O4S/c1-7(2)13-12(17)14-9(15)6-18-11(16)10-8(3)4-5-19-10/h4-5,7H,6H2,1-3H3,(H2,13,14,15,17)
InChIKeyMSMVEQKYBLKWQY-UHFFFAOYSA-N
XLogP1.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate (CID 2640476) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)NC(=O)NC(C)C.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is MSMVEQKYBLKWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-7(2)13-12(17)14-9(15)6-18-11(16)10-8(3)4-5-19-10/h4-5,7H,6H2,1-3H3,(H2,13,14,15,17).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 1.45, 4 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] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2640476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).