2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide

C20H23ClF3N3O6S — CID 69110718

About 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide

2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide (PubChem CID 69110718) has the molecular formula C20H23ClF3N3O6S and a molecular weight of 525.93 g/mol. Its IUPAC name is 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide.

Molecular Properties

• Compound Name: 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide
• PubChem CID: 69110718
• Molecular Formula: C20H23ClF3N3O6S
• Molecular Weight: 525.93 g/mol
• Exact Mass: 525.09
• IUPAC Name: 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide
• SMILES: COCCOc1ccc(CCCS(=O)(=O)NCC(N)=O)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
• InChI: InChI=1S/C20H23ClF3N3O6S/c1-31-6-7-32-15-5-4-13(3-2-8-34(29,30)27-12-18(25)28)17(10-15)33-19-16(21)9-14(11-26-19)20(22,23)24/h4-5,9-11,27H,2-3,6-8,12H2,1H3,(H2,25,28)
• InChIKey: ALGIRRMJINZOCJ-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 129.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.93
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide?

The IUPAC name of 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide (CID 69110718) is 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide.

What is the SMILES notation for 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide?

The canonical SMILES for 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide is COCCOc1ccc(CCCS(=O)(=O)NCC(N)=O)c(Oc2ncc(C(F)(F)F)cc2Cl)c1.

What is the InChIKey of 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide?

The InChIKey is ALGIRRMJINZOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF3N3O6S/c1-31-6-7-32-15-5-4-13(3-2-8-34(29,30)27-12-18(25)28)17(10-15)33-19-16(21)9-14(11-26-19)20(22,23)24/h4-5,9-11,27H,2-3,6-8,12H2,1H3,(H2,25,28).

What are the key properties of 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide?

2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide has a molecular weight of 525.93 g/mol, XLogP of 2.91, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide is sourced from PubChem (CID 69110718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).