Suprofen

C₁₄H₁₂O₃S — CID 5359

About Suprofen

Suprofen (PubChem CID 5359) has the molecular formula C₁₄H₁₂O₃S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid.

Molecular Properties

• Compound Name: Suprofen
• PubChem CID: 5359
• Molecular Formula: C₁₄H₁₂O₃S
• Molecular Weight: 260.31 g/mol
• Exact Mass: 260.05
• IUPAC Name: 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
• SMILES: CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1
• InChI: InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)
• InChIKey: MDKGKXOCJGEUJW-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 54.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.31
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Suprofen?

The IUPAC name of Suprofen (CID 5359) is 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid.

What is the SMILES notation for Suprofen?

The canonical SMILES for Suprofen is CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1.

What is the InChIKey of Suprofen?

The InChIKey is MDKGKXOCJGEUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17).

What are the key properties of Suprofen?

Suprofen has a molecular weight of 260.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Suprofen is sourced from PubChem (CID 5359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5359 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2546 — approved-drug record (CC BY-SA 4.0)

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