[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate

C16H17N3O6S — CID 2497740

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H17N3O6S/c1-2-24-15-13(4-3-9-18-15)16(21)25-10-14(20)19-11-5-7-12(8-6-11)26(17,22)23/h3-9H,2,10H2,1H3,(H,19,20)(H2,17,22,23)
InChIKeyLESZUOQUWPNIDL-UHFFFAOYSA-N
MW379.39 g/mol
LogP0.92
Rot. Bonds7

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2497740) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2497740
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H17N3O6S/c1-2-24-15-13(4-3-9-18-15)16(21)25-10-14(20)19-11-5-7-12(8-6-11)26(17,22)23/h3-9H,2,10H2,1H3,(H,19,20)(H2,17,22,23)
InChIKeyLESZUOQUWPNIDL-UHFFFAOYSA-N
XLogP0.92
TPSA137.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497957
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497885
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 18198826
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994120
[2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate
CID 71900631
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497980
(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
CID 7998156
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 55315049
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2344631

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate (CID 2497740) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is LESZUOQUWPNIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-2-24-15-13(4-3-9-18-15)16(21)25-10-14(20)19-11-5-7-12(8-6-11)26(17,22)23/h3-9H,2,10H2,1H3,(H,19,20)(H2,17,22,23).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 379.39 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2497740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).