ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate

C12H17NO4S — CID 1180187

IUPACethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC
InChIInChI=1S/C12H17NO4S/c1-4-8-6-9(12(15)17-5-2)11(18-8)13-10(14)7-16-3/h6H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyJGAOBDHGXLQMQS-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.07
Rot. Bonds6

About ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate (PubChem CID 1180187) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate
PubChem CID1180187
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nameethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COC
InChIInChI=1S/C12H17NO4S/c1-4-8-6-9(12(15)17-5-2)11(18-8)13-10(14)7-16-3/h6H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyJGAOBDHGXLQMQS-UHFFFAOYSA-N
XLogP2.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-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 ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate (CID 1180187) is ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)COC.
What is the InChIKey of ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate?
The InChIKey is JGAOBDHGXLQMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-8-6-9(12(15)17-5-2)11(18-8)13-10(14)7-16-3/h6H,4-5,7H2,1-3H3,(H,13,14).
What are the key properties of ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1180187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).