5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide

C20H14ClF4N3O3S — CID 55848337

About 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 55848337) has the molecular formula C20H14ClF4N3O3S and a molecular weight of 487.86 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide
• PubChem CID: 55848337
• Molecular Formula: C20H14ClF4N3O3S
• Molecular Weight: 487.86 g/mol
• Exact Mass: 487.04
• IUPAC Name: 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(OCC(F)(F)F)nc1
• InChI: InChI=1S/C20H14ClF4N3O3S/c1-10-6-16(28-18(29)13-4-2-11(22)7-14(13)21)32-17(10)19(30)27-12-3-5-15(26-8-12)31-9-20(23,24)25/h2-8H,9H2,1H3,(H,27,30)(H,28,29)
• InChIKey: XRMOIXGLLFHNNP-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.86
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide?

The IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide (CID 55848337) is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide?

The canonical SMILES for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(OCC(F)(F)F)nc1.

What is the InChIKey of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide?

The InChIKey is XRMOIXGLLFHNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF4N3O3S/c1-10-6-16(28-18(29)13-4-2-11(22)7-14(13)21)32-17(10)19(30)27-12-3-5-15(26-8-12)31-9-20(23,24)25/h2-8H,9H2,1H3,(H,27,30)(H,28,29).

What are the key properties of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide?

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 487.86 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 55848337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).