ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate

C16H17NO3S — CID 729365

IUPACethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC
InChIInChI=1S/C16H17NO3S/c1-3-14(18)17-15-12(16(19)20-4-2)10-13(21-15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,17,18)
InChIKeyQHAJECZNKUFMKU-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.94
Rot. Bonds5

About ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate

ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate (PubChem CID 729365) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate
PubChem CID729365
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Nameethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC
InChIInChI=1S/C16H17NO3S/c1-3-14(18)17-15-12(16(19)20-4-2)10-13(21-15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,17,18)
InChIKeyQHAJECZNKUFMKU-UHFFFAOYSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-phenyl-2-(propanoylamino)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-phenyl-2-(propanoylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate (CID 729365) is ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC.
What is the InChIKey of ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate?
The InChIKey is QHAJECZNKUFMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-3-14(18)17-15-12(16(19)20-4-2)10-13(21-15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,17,18).
What are the key properties of ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate?
ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-2-(propanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 729365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).