ethyl 2-acetamido-3-thiophen-3-ylpropanoate

C11H15NO3S — CID 22747902

IUPACethyl 2-acetamido-3-thiophen-3-ylpropanoate
SMILESCCOC(=O)C(Cc1ccsc1)NC(C)=O
InChIInChI=1S/C11H15NO3S/c1-3-15-11(14)10(12-8(2)13)6-9-4-5-16-7-9/h4-5,7,10H,3,6H2,1-2H3,(H,12,13)
InChIKeyAEJCKDFUNRICMC-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.36
Rot. Bonds5

About ethyl 2-acetamido-3-thiophen-3-ylpropanoate

ethyl 2-acetamido-3-thiophen-3-ylpropanoate (PubChem CID 22747902) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is ethyl 2-acetamido-3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-3-thiophen-3-ylpropanoate
PubChem CID22747902
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Nameethyl 2-acetamido-3-thiophen-3-ylpropanoate
SMILESCCOC(=O)C(Cc1ccsc1)NC(C)=O
InChIInChI=1S/C11H15NO3S/c1-3-15-11(14)10(12-8(2)13)6-9-4-5-16-7-9/h4-5,7,10H,3,6H2,1-2H3,(H,12,13)
InChIKeyAEJCKDFUNRICMC-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-3-thiophen-3-ylpropanoate?
The IUPAC name of ethyl 2-acetamido-3-thiophen-3-ylpropanoate (CID 22747902) is ethyl 2-acetamido-3-thiophen-3-ylpropanoate.
What is the SMILES notation for ethyl 2-acetamido-3-thiophen-3-ylpropanoate?
The canonical SMILES for ethyl 2-acetamido-3-thiophen-3-ylpropanoate is CCOC(=O)C(Cc1ccsc1)NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-3-thiophen-3-ylpropanoate?
The InChIKey is AEJCKDFUNRICMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-15-11(14)10(12-8(2)13)6-9-4-5-16-7-9/h4-5,7,10H,3,6H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-acetamido-3-thiophen-3-ylpropanoate?
ethyl 2-acetamido-3-thiophen-3-ylpropanoate has a molecular weight of 241.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-3-thiophen-3-ylpropanoate is sourced from PubChem (CID 22747902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).