5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C34H39F3N4O8S — CID 129152554

About 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 129152554) has the molecular formula C34H39F3N4O8S and a molecular weight of 720.77 g/mol. Its IUPAC name is 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 129152554
• Molecular Formula: C34H39F3N4O8S
• Molecular Weight: 720.77 g/mol
• Exact Mass: 720.24
• IUPAC Name: 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: CCC(=O)NCCOCCOCCOCCOCCNC(=O)c1cc(S(=O)c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
• InChI: InChI=1S/C34H39F3N4O8S/c1-3-31(42)39-11-13-46-15-17-48-19-20-49-18-16-47-14-12-40-32(43)29-22-30(50(45)28-9-7-25(23-38)8-10-28)24(2)41(33(29)44)27-6-4-5-26(21-27)34(35,36)37/h4-10,21-22H,3,11-20H2,1-2H3,(H,39,42)(H,40,43)
• InChIKey: DOCYFRUAXYVUEM-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 157.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	720.77
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 129152554) is 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCC(=O)NCCOCCOCCOCCOCCNC(=O)c1cc(S(=O)c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O.

What is the InChIKey of 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is DOCYFRUAXYVUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39F3N4O8S/c1-3-31(42)39-11-13-46-15-17-48-19-20-49-18-16-47-14-12-40-32(43)29-22-30(50(45)28-9-7-25(23-38)8-10-28)24(2)41(33(29)44)27-6-4-5-26(21-27)34(35,36)37/h4-10,21-22H,3,11-20H2,1-2H3,(H,39,42)(H,40,43).

What are the key properties of 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 720.77 g/mol, XLogP of 3.53, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 129152554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).