methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate

C18H20N2O6S — CID 3827562

IUPACmethyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate
SMILESCCOC(=O)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C18H20N2O6S/c1-3-26-17(21)13-20(12-14-8-6-7-11-19-14)27(23,24)16-10-5-4-9-15(16)18(22)25-2/h4-11H,3,12-13H2,1-2H3
InChIKeyKTFPIBNBWAQREK-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.62
Rot. Bonds8

About methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate

methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate (PubChem CID 3827562) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate
PubChem CID3827562
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Namemethyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate
SMILESCCOC(=O)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C18H20N2O6S/c1-3-26-17(21)13-20(12-14-8-6-7-11-19-14)27(23,24)16-10-5-4-9-15(16)18(22)25-2/h4-11H,3,12-13H2,1-2H3
InChIKeyKTFPIBNBWAQREK-UHFFFAOYSA-N
XLogP1.62
TPSA102.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3288655
ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3855455
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366
2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate
CID 160612270
methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378680
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51169901
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377
methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
CID 62007022
methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate
CID 42778769
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetamide
CID 10760373

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate (CID 3827562) is methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate is CCOC(=O)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate?
The InChIKey is KTFPIBNBWAQREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-3-26-17(21)13-20(12-14-8-6-7-11-19-14)27(23,24)16-10-5-4-9-15(16)18(22)25-2/h4-11H,3,12-13H2,1-2H3.
What are the key properties of methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate?
methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate has a molecular weight of 392.43 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate is sourced from PubChem (CID 3827562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).