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

C16H18N2O5S — CID 1082996

IUPACethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N2O5S/c1-2-22-16(19)12-23-14-3-5-15(6-4-14)24(20,21)18-11-13-7-9-17-10-8-13/h3-10,18H,2,11-12H2,1H3
InChIKeyINMOBAGWVIAPNU-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.50
Rot. Bonds8

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

ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate (PubChem CID 1082996) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate
PubChem CID1082996
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Nameethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N2O5S/c1-2-22-16(19)12-23-14-3-5-15(6-4-14)24(20,21)18-11-13-7-9-17-10-8-13/h3-10,18H,2,11-12H2,1H3
InChIKeyINMOBAGWVIAPNU-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

Evatanepag
CID 9890801
3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
Evatanepag Sodium
CID 23674101
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
Hexahydro quinoline derivative 1
CID 121325265
3-{4-Methoxy-3-[(pyridin-3-ylmethyl)-sulfamoyl]-phenyl}-acrylic acid
CID 711415
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
3,4-dimethoxy-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237445

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate (CID 1082996) is ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate?
The InChIKey is INMOBAGWVIAPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-2-22-16(19)12-23-14-3-5-15(6-4-14)24(20,21)18-11-13-7-9-17-10-8-13/h3-10,18H,2,11-12H2,1H3.
What are the key properties of ethyl 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetate?
ethyl 2-[4-(pyridin-4-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-4-ylmethylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 1082996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).