prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate

C24H26N2O6S — CID 10790542

IUPACprop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
SMILESC=CCOC(=O)C1C(=O)N(CCOC)C(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1
InChIInChI=1S/C24H26N2O6S/c1-3-14-32-24(28)22-20(17-7-5-4-6-8-17)16-21(26(23(22)27)13-15-31-2)18-9-11-19(12-10-18)33(25,29)30/h3-12,16,20,22H,1,13-15H2,2H3,(H2,25,29,30)
InChIKeyTWFNFFNTHXYGLS-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.29
Rot. Bonds9

About prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate

prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate (PubChem CID 10790542) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
PubChem CID10790542
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Nameprop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
SMILESC=CCOC(=O)C1C(=O)N(CCOC)C(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1
InChIInChI=1S/C24H26N2O6S/c1-3-14-32-24(28)22-20(17-7-5-4-6-8-17)16-21(26(23(22)27)13-15-31-2)18-9-11-19(12-10-18)33(25,29)30/h3-12,16,20,22H,1,13-15H2,2H3,(H2,25,29,30)
InChIKeyTWFNFFNTHXYGLS-UHFFFAOYSA-N
XLogP2.29
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
The IUPAC name of prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate (CID 10790542) is prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
The canonical SMILES for prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate is C=CCOC(=O)C1C(=O)N(CCOC)C(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1.
What is the InChIKey of prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
The InChIKey is TWFNFFNTHXYGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-3-14-32-24(28)22-20(17-7-5-4-6-8-17)16-21(26(23(22)27)13-15-31-2)18-9-11-19(12-10-18)33(25,29)30/h3-12,16,20,22H,1,13-15H2,2H3,(H2,25,29,30).
What are the key properties of prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate has a molecular weight of 470.55 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-(2-methoxyethyl)-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 10790542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).