3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid

C14H13NO3S — CID 17341533

IUPAC3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13NO3S/c16-13(17)8-5-10-3-6-11(7-4-10)15-14(18)12-2-1-9-19-12/h1-4,6-7,9H,5,8H2,(H,15,18)(H,16,17)
InChIKeyLLBKJAZUXVIFOZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.02
Rot. Bonds5

About 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid

3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid (PubChem CID 17341533) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid
PubChem CID17341533
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13NO3S/c16-13(17)8-5-10-3-6-11(7-4-10)15-14(18)12-2-1-9-19-12/h1-4,6-7,9H,5,8H2,(H,15,18)(H,16,17)
InChIKeyLLBKJAZUXVIFOZ-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid 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 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid (CID 17341533) is 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid?
The InChIKey is LLBKJAZUXVIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(17)8-5-10-3-6-11(7-4-10)15-14(18)12-2-1-9-19-12/h1-4,6-7,9H,5,8H2,(H,15,18)(H,16,17).
What are the key properties of 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid?
3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid has a molecular weight of 275.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(thiophene-2-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 17341533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).