(Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide

C26H35N3O5S — CID 118384222

About (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide

(Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide (PubChem CID 118384222) has the molecular formula C26H35N3O5S and a molecular weight of 501.65 g/mol. Its IUPAC name is (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide.

Molecular Properties

• Compound Name: (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide
• PubChem CID: 118384222
• Molecular Formula: C26H35N3O5S
• Molecular Weight: 501.65 g/mol
• Exact Mass: 501.23
• IUPAC Name: (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide
• SMILES: COCCOCCOCCNS(=O)(=O)/C=C(/CC#N)c1ccc2cc(N3CCCCC3)ccc2c1
• InChI: InChI=1S/C26H35N3O5S/c1-32-15-16-34-18-17-33-14-11-28-35(30,31)21-25(9-10-27)23-5-6-24-20-26(8-7-22(24)19-23)29-12-3-2-4-13-29/h5-8,19-21,28H,2-4,9,11-18H2,1H3/b25-21-
• InChIKey: WPUCSRMGRVPAIU-DAFNUICNSA-N
• XLogP: 3.68
• TPSA: 100.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.65
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
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 (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide?

The IUPAC name of (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide (CID 118384222) is (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide.

What is the SMILES notation for (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide?

The canonical SMILES for (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide is COCCOCCOCCNS(=O)(=O)/C=C(/CC#N)c1ccc2cc(N3CCCCC3)ccc2c1.

What is the InChIKey of (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide?

The InChIKey is WPUCSRMGRVPAIU-DAFNUICNSA-N. The full InChI is InChI=1S/C26H35N3O5S/c1-32-15-16-34-18-17-33-14-11-28-35(30,31)21-25(9-10-27)23-5-6-24-20-26(8-7-22(24)19-23)29-12-3-2-4-13-29/h5-8,19-21,28H,2-4,9,11-18H2,1H3/b25-21-.

What are the key properties of (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide?

(Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide has a molecular weight of 501.65 g/mol, XLogP of 3.68, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)prop-1-ene-1-sulfonamide is sourced from PubChem (CID 118384222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).