methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate

C27H26N2O5S — CID 10719863

IUPACmethyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1C(=O)N(CCc2ccccc2)C(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1
InChIInChI=1S/C27H26N2O5S/c1-34-27(31)25-23(20-10-6-3-7-11-20)18-24(21-12-14-22(15-13-21)35(28,32)33)29(26(25)30)17-16-19-8-4-2-5-9-19/h2-15,18,23,25H,16-17H2,1H3,(H2,28,32,33)
InChIKeyQGCJSZQMJHJPNX-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.33
Rot. Bonds7

About methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate

methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate (PubChem CID 10719863) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
PubChem CID10719863
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC Namemethyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1C(=O)N(CCc2ccccc2)C(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1
InChIInChI=1S/C27H26N2O5S/c1-34-27(31)25-23(20-10-6-3-7-11-20)18-24(21-12-14-22(15-13-21)35(28,32)33)29(26(25)30)17-16-19-8-4-2-5-9-19/h2-15,18,23,25H,16-17H2,1H3,(H2,28,32,33)
InChIKeyQGCJSZQMJHJPNX-UHFFFAOYSA-N
XLogP3.33
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
CID 10769704
(3R,4S,6R)-4-(Trifluoromethyl)-2-oxo-6-phenyl-1-tosylpiperidine-3-carboxylic acid methyl ester
CID 132506678
Prop-2-enyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
CID 10625698
methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate
CID 10667858
Methyl 1-benzyl-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
CID 10672242
Methyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
CID 10836184
dimethyl 4-(4-methylphenyl)sulfonyl-6-phenyl-3,11b-dihydro-2H-pyridazino[6,1-a]isoquinoline-1,1-dicarboxylate
CID 101954597
methyl (2S)-2-[(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrol-5-yl]-2-phenylacetate
CID 122383840
ethyl 2-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3,5-diphenyl-2,3-dihydropyrrol-2-yl]prop-2-enoate
CID 139091832
Methyl 3-(4-fluorophenyl)-3-[[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate
CID 55994018
tert-butyl (3R)-3-phenyl-3-[[4-[(4-phenylphenyl)sulfonylamino]cyclohexanecarbonyl]amino]propanoate
CID 58292224
Tert-butyl 3-phenyl-3-[[4-[(4-phenylphenyl)sulfonylamino]cyclohexanecarbonyl]amino]propanoate
CID 76743702

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
The IUPAC name of methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate (CID 10719863) is methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
The canonical SMILES for methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate is COC(=O)C1C(=O)N(CCc2ccccc2)C(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1.
What is the InChIKey of methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
The InChIKey is QGCJSZQMJHJPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-34-27(31)25-23(20-10-6-3-7-11-20)18-24(21-12-14-22(15-13-21)35(28,32)33)29(26(25)30)17-16-19-8-4-2-5-9-19/h2-15,18,23,25H,16-17H2,1H3,(H2,28,32,33).
What are the key properties of methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate?
methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate has a molecular weight of 490.58 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 10719863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).