[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate

C17H19N3O5S — CID 31172106

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C17H19N3O5S/c1-12-2-5-14(10-20-12)17(22)25-11-16(21)19-9-8-13-3-6-15(7-4-13)26(18,23)24/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H2,18,23,24)
InChIKeyOWJADNGYZWMXMX-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.55
Rot. Bonds7

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate (PubChem CID 31172106) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate
PubChem CID31172106
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C17H19N3O5S/c1-12-2-5-14(10-20-12)17(22)25-11-16(21)19-9-8-13-3-6-15(7-4-13)26(18,23)24/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H2,18,23,24)
InChIKeyOWJADNGYZWMXMX-UHFFFAOYSA-N
XLogP0.55
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18151669
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
CID 7891668
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 24671488
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methylbut-2-enoate
CID 8759577
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24632921
methyl 3-chloro-4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethoxy]benzoate
CID 55578270
4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 24634981
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605604
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate
CID 35192559
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 40778059

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate (CID 31172106) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate is Cc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is OWJADNGYZWMXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-12-2-5-14(10-20-12)17(22)25-11-16(21)19-9-8-13-3-6-15(7-4-13)26(18,23)24/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H2,18,23,24).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 31172106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).