methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate

C19H18N2O5S — CID 10667858

IUPACmethyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate
SMILESCOC(=O)C1C(=O)NC(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1
InChIInChI=1S/C19H18N2O5S/c1-26-19(23)17-15(12-5-3-2-4-6-12)11-16(21-18(17)22)13-7-9-14(10-8-13)27(20,24)25/h2-11,15,17H,1H3,(H,21,22)(H2,20,24,25)
InChIKeyVKLPQPYUXIRNJT-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate

methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate (PubChem CID 10667858) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate
PubChem CID10667858
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Namemethyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate
SMILESCOC(=O)C1C(=O)NC(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1
InChIInChI=1S/C19H18N2O5S/c1-26-19(23)17-15(12-5-3-2-4-6-12)11-16(21-18(17)22)13-7-9-14(10-8-13)27(20,24)25/h2-11,15,17H,1H3,(H,21,22)(H2,20,24,25)
InChIKeyVKLPQPYUXIRNJT-UHFFFAOYSA-N
XLogP1.38
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-oxo-2-phenyl-3-(4-sulfamoylanilino)propanoate
CID 164615601
Prop-2-enyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
CID 10625698
Methyl 1-benzyl-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
CID 10672242
Methyl 2-oxo-4-phenyl-1-(2-phenylethyl)-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
CID 10719863
Methyl 2-oxo-4-phenyl-1-prop-2-enyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate
CID 10836184
ethyl 2-oxo-4,6-diphenyl-3,4-dihydro-1H-pyridine-3-carboxylate
CID 12169828
Methyl 3-(4-fluorophenyl)-3-[[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate
CID 55994018
Methyl 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-3-(4-fluorophenyl)propanoate
CID 55994920
Methyl 3-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]-3-(4-fluorophenyl)propanoate
CID 55996607
methyl 3-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]-3-(4-fluorophenyl)butanoate
CID 86819318
dimethyl 2-[(E,1R)-1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylprop-2-enyl]propanedioate
CID 102224642
dimethyl 2-[(E,1R)-3-(2-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]-1-phenylprop-2-enyl]propanedioate
CID 102224654

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate (CID 10667858) is methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate is COC(=O)C1C(=O)NC(c2ccc(S(N)(=O)=O)cc2)=CC1c1ccccc1.
What is the InChIKey of methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate?
The InChIKey is VKLPQPYUXIRNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-26-19(23)17-15(12-5-3-2-4-6-12)11-16(21-18(17)22)13-7-9-14(10-8-13)27(20,24)25/h2-11,15,17H,1H3,(H,21,22)(H2,20,24,25).
What are the key properties of methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate?
methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10667858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).