2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid

C23H23NO6S — CID 19694546

IUPAC2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid
SMILESCOc1ccc(/C=C/S(=O)(=O)NCCc2cccc3c(OCC(=O)O)cccc23)cc1
InChIInChI=1S/C23H23NO6S/c1-29-19-10-8-17(9-11-19)13-15-31(27,28)24-14-12-18-4-2-6-21-20(18)5-3-7-22(21)30-16-23(25)26/h2-11,13,15,24H,12,14,16H2,1H3,(H,25,26)/b15-13+
InChIKeyNUENCLLFKFGHIA-FYWRMAATSA-N
MW441.51 g/mol
LogP3.44
Rot. Bonds10

About 2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid

2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid (PubChem CID 19694546) has the molecular formula C23H23NO6S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid
PubChem CID19694546
Molecular FormulaC23H23NO6S
Molecular Weight441.51 g/mol
Exact Mass441.12
IUPAC Name2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid
SMILESCOc1ccc(/C=C/S(=O)(=O)NCCc2cccc3c(OCC(=O)O)cccc23)cc1
InChIInChI=1S/C23H23NO6S/c1-29-19-10-8-17(9-11-19)13-15-31(27,28)24-14-12-18-4-2-6-21-20(18)5-3-7-22(21)30-16-23(25)26/h2-11,13,15,24H,12,14,16H2,1H3,(H,25,26)/b15-13+
InChIKeyNUENCLLFKFGHIA-FYWRMAATSA-N
XLogP3.44
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[5-[2-(2-phenylethenylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetamide
CID 54193107
2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid
CID 19694541
2-[2-[5-(carboxymethoxy)naphthalen-1-yl]ethyl-(2-phenylethenylsulfonyl)amino]acetic acid
CID 54429524
2-[[5-[2-[[(E)-2-phenylethenyl]sulfonylamino]ethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
CID 19694559
2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
CID 18783000
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 28514163
2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid
CID 15434956
(E)-N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90553146
2-[[1-[(2-phenylethenylsulfonylamino)methyl]-3,4-dihydro-1H-isochromen-6-yl]oxy]acetic acid
CID 139604880
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 46696275
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid (CID 19694546) is 2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid is COc1ccc(/C=C/S(=O)(=O)NCCc2cccc3c(OCC(=O)O)cccc23)cc1.
What is the InChIKey of 2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid?
The InChIKey is NUENCLLFKFGHIA-FYWRMAATSA-N. The full InChI is InChI=1S/C23H23NO6S/c1-29-19-10-8-17(9-11-19)13-15-31(27,28)24-14-12-18-4-2-6-21-20(18)5-3-7-22(21)30-16-23(25)26/h2-11,13,15,24H,12,14,16H2,1H3,(H,25,26)/b15-13+.
What are the key properties of 2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid?
2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid has a molecular weight of 441.51 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]ethyl]naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 19694546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).