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

C24H24N2O5S — CID 10837344

IUPACprop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
SMILESC=CCOC(=O)C1C(=O)N(CC=C)C(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1
InChIInChI=1S/C24H24N2O5S/c1-3-14-26-21(18-10-12-19(13-11-18)32(25,29)30)16-20(17-8-6-5-7-9-17)22(23(26)27)24(28)31-15-4-2/h3-13,16,20,22H,1-2,14-15H2,(H2,25,29,30)
InChIKeyQNWHLHSUYGHKDV-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.83
Rot. Bonds8

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

prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate (PubChem CID 10837344) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
PubChem CID10837344
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Nameprop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
SMILESC=CCOC(=O)C1C(=O)N(CC=C)C(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1
InChIInChI=1S/C24H24N2O5S/c1-3-14-26-21(18-10-12-19(13-11-18)32(25,29)30)16-20(17-8-6-5-7-9-17)22(23(26)27)24(28)31-15-4-2/h3-13,16,20,22H,1-2,14-15H2,(H2,25,29,30)
InChIKeyQNWHLHSUYGHKDV-UHFFFAOYSA-N
XLogP2.83
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 16745724
CID 16745724
CID 49859028
CID 49859028
CID 10625698
CID 10625698
CID 10667858
CID 10667858
CID 10672242
CID 10672242
CID 10719863
CID 10719863
CID 10836184
CID 10836184
CID 139091832
CID 139091832
CID 53231031
CID 53231031
CID 10554144
CID 10554144
CID 10721787
CID 10721787
CID 10744043
CID 10744043

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
The IUPAC name of prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate (CID 10837344) is prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
The canonical SMILES for prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate is C=CCOC(=O)C1C(=O)N(CC=C)C(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1.
What is the InChIKey of prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
The InChIKey is QNWHLHSUYGHKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-3-14-26-21(18-10-12-19(13-11-18)32(25,29)30)16-20(17-8-6-5-7-9-17)22(23(26)27)24(28)31-15-4-2/h3-13,16,20,22H,1-2,14-15H2,(H2,25,29,30).
What are the key properties of prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate has a molecular weight of 452.53 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 10837344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).