[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate

C20H18N2O6S — CID 2465842

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H18N2O6S/c21-29(25,26)18-9-6-16(7-10-18)22-19(23)12-28-20(24)13-27-17-8-5-14-3-1-2-4-15(14)11-17/h1-11H,12-13H2,(H,22,23)(H2,21,25,26)
InChIKeyGYMNSYCBSPPUKH-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.05
Rot. Bonds7

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 2465842) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate
PubChem CID2465842
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H18N2O6S/c21-29(25,26)18-9-6-16(7-10-18)22-19(23)12-28-20(24)13-27-17-8-5-14-3-1-2-4-15(14)11-17/h1-11H,12-13H2,(H,22,23)(H2,21,25,26)
InChIKeyGYMNSYCBSPPUKH-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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Related Compounds

Naproanilide
CID 40413
2-{4-[(isopropylamino)sulfonyl]phenoxy}-N-1-naphthylacetamide
CID 1314065
N-(2-methoxyphenyl)-2-naphthalen-2-yloxyacetamide
CID 1717965
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 3501685
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1144627
N-(4-{[4-(2-naphthyloxy)anilino]sulfonyl}phenyl)acetamide
CID 1217803
2-(4-ethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1014119
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 2125931
2-(3-Ethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 2552959
N-[4-({4-[2-hydroxy-3-(2-naphthyloxy)propyl]-1-piperazinyl}sulfonyl)phenyl]acetamide
CID 2945327
[2-(Cyclopentylamino)-2-oxoethyl] 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetate
CID 3253630

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate (CID 2465842) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is GYMNSYCBSPPUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c21-29(25,26)18-9-6-16(7-10-18)22-19(23)12-28-20(24)13-27-17-8-5-14-3-1-2-4-15(14)11-17/h1-11H,12-13H2,(H,22,23)(H2,21,25,26).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate?
[2-oxo-2-(4-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-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 2465842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).