Tiapride

C₁₅H₂₄N₂O₄S — CID 5467

About Tiapride

Tiapride (PubChem CID 5467) has the molecular formula C₁₅H₂₄N₂O₄S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide.

Molecular Properties

• Compound Name: Tiapride
• PubChem CID: 5467
• Molecular Formula: C₁₅H₂₄N₂O₄S
• Molecular Weight: 328.43 g/mol
• Exact Mass: 328.15
• IUPAC Name: N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide
• SMILES: CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC
• InChI: InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
• InChIKey: JTVPZMFULRWINT-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.43
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Tiapride?

The IUPAC name of Tiapride (CID 5467) is N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide.

What is the SMILES notation for Tiapride?

The canonical SMILES for Tiapride is CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.

What is the InChIKey of Tiapride?

The InChIKey is JTVPZMFULRWINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18).

What are the key properties of Tiapride?

Tiapride has a molecular weight of 328.43 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Tiapride is sourced from PubChem (CID 5467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5467 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2651 — approved-drug record (CC BY-SA 4.0)

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