[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C19H23N3O6S — CID 3896374

IUPAC[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O6S/c1-5-27-18-15(7-6-10-20-18)19(24)28-12-17(23)21-14-9-8-13(2)16(11-14)29(25,26)22(3)4/h6-11H,5,12H2,1-4H3,(H,21,23)
InChIKeyQMHIQUUIBMTLEM-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.83
Rot. Bonds8

About [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 3896374) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID3896374
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O6S/c1-5-27-18-15(7-6-10-20-18)19(24)28-12-17(23)21-14-9-8-13(2)16(11-14)29(25,26)22(3)4/h6-11H,5,12H2,1-4H3,(H,21,23)
InChIKeyQMHIQUUIBMTLEM-UHFFFAOYSA-N
XLogP1.83
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 3896374) is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is QMHIQUUIBMTLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-5-27-18-15(7-6-10-20-18)19(24)28-12-17(23)21-14-9-8-13(2)16(11-14)29(25,26)22(3)4/h6-11H,5,12H2,1-4H3,(H,21,23).
What are the key properties of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 421.48 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 3896374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).