[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C21H27N3O6S — CID 4540065

IUPAC[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C
InChIInChI=1S/C21H27N3O6S/c1-5-24(6-2)31(27,28)16-11-10-15(4)18(13-16)23-19(25)14-30-21(26)17-9-8-12-22-20(17)29-7-3/h8-13H,5-7,14H2,1-4H3,(H,23,25)
InChIKeyJOIGGAJHFFIDNL-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.61
Rot. Bonds10

About [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 4540065) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID4540065
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C
InChIInChI=1S/C21H27N3O6S/c1-5-24(6-2)31(27,28)16-11-10-15(4)18(13-16)23-19(25)14-30-21(26)17-9-8-12-22-20(17)29-7-3/h8-13H,5-7,14H2,1-4H3,(H,23,25)
InChIKeyJOIGGAJHFFIDNL-UHFFFAOYSA-N
XLogP2.61
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 4540065) is [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C.
What is the InChIKey of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is JOIGGAJHFFIDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-5-24(6-2)31(27,28)16-11-10-15(4)18(13-16)23-19(25)14-30-21(26)17-9-8-12-22-20(17)29-7-3/h8-13H,5-7,14H2,1-4H3,(H,23,25).
What are the key properties of [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 449.53 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 4540065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).