ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate

C16H18N2O5S — CID 1082995

IUPACethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H18N2O5S/c1-2-22-16(19)12-23-14-5-7-15(8-6-14)24(20,21)18-11-13-4-3-9-17-10-13/h3-10,18H,2,11-12H2,1H3
InChIKeyARYKBENZXGJEQR-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.50
Rot. Bonds8

About ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate

ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate (PubChem CID 1082995) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate
PubChem CID1082995
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Nameethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H18N2O5S/c1-2-22-16(19)12-23-14-5-7-15(8-6-14)24(20,21)18-11-13-4-3-9-17-10-13/h3-10,18H,2,11-12H2,1H3
InChIKeyARYKBENZXGJEQR-UHFFFAOYSA-N
XLogP1.50
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
N,N-dipropyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060934
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 126199254
4-(3-aminoprop-1-ynyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60846057
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
ethyl 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)-1H-pyrrole-3-carboxylate
CID 20923289
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086
N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060938

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate (CID 1082995) is ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1.
What is the InChIKey of ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate?
The InChIKey is ARYKBENZXGJEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-2-22-16(19)12-23-14-5-7-15(8-6-14)24(20,21)18-11-13-4-3-9-17-10-13/h3-10,18H,2,11-12H2,1H3.
What are the key properties of ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate?
ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate has a molecular weight of 350.40 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 1082995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).