methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate

C19H23N3O6S — CID 24609497

IUPACmethyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cc(C(=O)OC)ccc2=O)cc1
InChIInChI=1S/C19H23N3O6S/c1-4-22(5-2)29(26,27)16-9-7-15(8-10-16)20-17(23)13-21-12-14(19(25)28-3)6-11-18(21)24/h6-12H,4-5,13H2,1-3H3,(H,20,23)
InChIKeyBPLHNOIEDYCCDW-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.30
Rot. Bonds8

About methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate

methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate (PubChem CID 24609497) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
PubChem CID24609497
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Namemethyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cc(C(=O)OC)ccc2=O)cc1
InChIInChI=1S/C19H23N3O6S/c1-4-22(5-2)29(26,27)16-9-7-15(8-10-16)20-17(23)13-21-12-14(19(25)28-3)6-11-18(21)24/h6-12H,4-5,13H2,1-3H3,(H,20,23)
InChIKeyBPLHNOIEDYCCDW-UHFFFAOYSA-N
XLogP1.30
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate with MolForge

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Related Compounds

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CID 16552503
N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7768257
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
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2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285
methyl 4-[[2-[(4-bromophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
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methyl 4-[[2-[ethyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]benzoate
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N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 42490480
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 30873268
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-ethyl-3-nitrophenyl)acetamide
CID 30839874
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-methyl-3-nitrophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate (CID 24609497) is methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate is CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cc(C(=O)OC)ccc2=O)cc1.
What is the InChIKey of methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is BPLHNOIEDYCCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-4-22(5-2)29(26,27)16-9-7-15(8-10-16)20-17(23)13-21-12-14(19(25)28-3)6-11-18(21)24/h6-12H,4-5,13H2,1-3H3,(H,20,23).
What are the key properties of methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 421.48 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 24609497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).