2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid

C26H36N4O10S — CID 166976215

About 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid

2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid (PubChem CID 166976215) has the molecular formula C26H36N4O10S and a molecular weight of 596.66 g/mol. Its IUPAC name is 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid
• PubChem CID: 166976215
• Molecular Formula: C26H36N4O10S
• Molecular Weight: 596.66 g/mol
• Exact Mass: 596.22
• IUPAC Name: 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid
• SMILES: CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)cn2)cc1
• InChI: InChI=1S/C26H36N4O10S/c1-2-20-3-6-22(7-4-20)41(35,36)30-23-8-5-21(17-29-23)26(34)28-10-12-38-13-15-39-18-24(31)27-9-11-37-14-16-40-19-25(32)33/h3-8,17H,2,9-16,18-19H2,1H3,(H,27,31)(H,28,34)(H,29,30)(H,32,33)
• InChIKey: UHECDVXNQOYYIS-UHFFFAOYSA-N
• XLogP: 0.44
• TPSA: 191.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.66
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	4
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 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid?

The IUPAC name of 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid (CID 166976215) is 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid.

What is the SMILES notation for 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid?

The canonical SMILES for 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid is CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)cn2)cc1.

What is the InChIKey of 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid?

The InChIKey is UHECDVXNQOYYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O10S/c1-2-20-3-6-22(7-4-20)41(35,36)30-23-8-5-21(17-29-23)26(34)28-10-12-38-13-15-39-18-24(31)27-9-11-37-14-16-40-19-25(32)33/h3-8,17H,2,9-16,18-19H2,1H3,(H,27,31)(H,28,34)(H,29,30)(H,32,33).

What are the key properties of 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid?

2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid has a molecular weight of 596.66 g/mol, XLogP of 0.44, 21 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[2-[2-[2-[[6-[(4-ethylphenyl)sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 166976215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).