[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate

C18H19N3O7S — CID 3446135

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(=O)[nH]c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19N3O7S/c22-16-5-4-13(11-19-16)18(24)28-12-17(23)20-14-2-1-3-15(10-14)29(25,26)21-6-8-27-9-7-21/h1-5,10-11H,6-9,12H2,(H,19,22)(H,20,23)
InChIKeyAHKKEYTVZNBNAG-UHFFFAOYSA-N
MW421.43 g/mol
LogP0.19
Rot. Bonds6

About [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate (PubChem CID 3446135) has the molecular formula C18H19N3O7S and a molecular weight of 421.43 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
PubChem CID3446135
Molecular FormulaC18H19N3O7S
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(=O)[nH]c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19N3O7S/c22-16-5-4-13(11-19-16)18(24)28-12-17(23)20-14-2-1-3-15(10-14)29(25,26)21-6-8-27-9-7-21/h1-5,10-11H,6-9,12H2,(H,19,22)(H,20,23)
InChIKeyAHKKEYTVZNBNAG-UHFFFAOYSA-N
XLogP0.19
TPSA134.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6107805
N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 2529031
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
CID 3401824
N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
CID 4316111
[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 24982442
[1-(3-Morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 4181266
N-(3-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 4372853
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 5043103
[2-(2-fluoroanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 6242814
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 4836476
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 24978923
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 24980017

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate (CID 3446135) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc(=O)[nH]c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is AHKKEYTVZNBNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O7S/c22-16-5-4-13(11-19-16)18(24)28-12-17(23)20-14-2-1-3-15(10-14)29(25,26)21-6-8-27-9-7-21/h1-5,10-11H,6-9,12H2,(H,19,22)(H,20,23).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 421.43 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 3446135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).