2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide

C13H8Cl3F3N2OS2 — CID 24516606

About 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide

2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide (PubChem CID 24516606) has the molecular formula C13H8Cl3F3N2OS2 and a molecular weight of 435.71 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide
• PubChem CID: 24516606
• Molecular Formula: C13H8Cl3F3N2OS2
• Molecular Weight: 435.71 g/mol
• Exact Mass: 433.91
• IUPAC Name: 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide
• SMILES: O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cc(Cl)sc1Cl
• InChI: InChI=1S/C13H8Cl3F3N2OS2/c14-8-3-6(13(17,18)19)5-21-12(8)23-2-1-20-11(22)7-4-9(15)24-10(7)16/h3-5H,1-2H2,(H,20,22)
• InChIKey: AAVMZNDBASOAOI-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.71
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide?

The IUPAC name of 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide (CID 24516606) is 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide.

What is the SMILES notation for 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide?

The canonical SMILES for 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide is O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cc(Cl)sc1Cl.

What is the InChIKey of 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide?

The InChIKey is AAVMZNDBASOAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3F3N2OS2/c14-8-3-6(13(17,18)19)5-21-12(8)23-2-1-20-11(22)7-4-9(15)24-10(7)16/h3-5H,1-2H2,(H,20,22).

What are the key properties of 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide?

2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide has a molecular weight of 435.71 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 24516606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).