[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate

C20H18N2O6S — CID 3950308

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H18N2O6S/c21-29(25,26)18-7-3-6-16(11-18)22-19(23)12-28-20(24)13-27-17-9-8-14-4-1-2-5-15(14)10-17/h1-11H,12-13H2,(H,22,23)(H2,21,25,26)
InChIKeyMNGSHDGGWOLBQM-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.05
Rot. Bonds7

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 3950308) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate
PubChem CID3950308
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H18N2O6S/c21-29(25,26)18-7-3-6-16(11-18)22-19(23)12-28-20(24)13-27-17-9-8-14-4-1-2-5-15(14)10-17/h1-11H,12-13H2,(H,22,23)(H2,21,25,26)
InChIKeyMNGSHDGGWOLBQM-UHFFFAOYSA-N
XLogP2.05
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate (CID 3950308) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is MNGSHDGGWOLBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c21-29(25,26)18-7-3-6-16(11-18)22-19(23)12-28-20(24)13-27-17-9-8-14-4-1-2-5-15(14)10-17/h1-11H,12-13H2,(H,22,23)(H2,21,25,26).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 414.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 3950308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).