(Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide

C25H33N3O5S — CID 118384211

IUPAC(Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide
SMILESCOCCOCCOCCNS(=O)(=O)/C(C#N)=C\c1ccc2cc(N3CCCCC3)ccc2c1
InChIInChI=1S/C25H33N3O5S/c1-31-13-14-33-16-15-32-12-9-27-34(29,30)25(20-26)18-21-5-6-23-19-24(8-7-22(23)17-21)28-10-3-2-4-11-28/h5-8,17-19,27H,2-4,9-16H2,1H3/b25-18-
InChIKeyIZFHUYWKPMRHEB-BWAHOGKJSA-N
MW487.62 g/mol
LogP3.29
Rot. Bonds13

About (Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide

(Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide (PubChem CID 118384211) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is (Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide.

Molecular Properties

Compound Name(Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide
PubChem CID118384211
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Name(Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide
SMILESCOCCOCCOCCNS(=O)(=O)/C(C#N)=C\c1ccc2cc(N3CCCCC3)ccc2c1
InChIInChI=1S/C25H33N3O5S/c1-31-13-14-33-16-15-32-12-9-27-34(29,30)25(20-26)18-21-5-6-23-19-24(8-7-22(23)17-21)28-10-3-2-4-11-28/h5-8,17-19,27H,2-4,9-16H2,1H3/b25-18-
InChIKeyIZFHUYWKPMRHEB-BWAHOGKJSA-N
XLogP3.29
TPSA100.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide?
The IUPAC name of (Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide (CID 118384211) is (Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide.
What is the SMILES notation for (Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide?
The canonical SMILES for (Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide is COCCOCCOCCNS(=O)(=O)/C(C#N)=C\c1ccc2cc(N3CCCCC3)ccc2c1.
What is the InChIKey of (Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide?
The InChIKey is IZFHUYWKPMRHEB-BWAHOGKJSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-31-13-14-33-16-15-32-12-9-27-34(29,30)25(20-26)18-21-5-6-23-19-24(8-7-22(23)17-21)28-10-3-2-4-11-28/h5-8,17-19,27H,2-4,9-16H2,1H3/b25-18-.
What are the key properties of (Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide?
(Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide has a molecular weight of 487.62 g/mol, XLogP of 3.29, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyano-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(6-piperidin-1-ylnaphthalen-2-yl)ethenesulfonamide is sourced from PubChem (CID 118384211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).