[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

C20H21N5O5S — CID 55641208

IUPAC[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cnn1-c1ccccn1
InChIInChI=1S/C20H21N5O5S/c1-14-17(12-22-25(14)18-9-4-5-10-21-18)20(27)30-13-19(26)23-15-7-6-8-16(11-15)31(28,29)24(2)3/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeySVBTZIUGSAHDBR-UHFFFAOYSA-N
MW443.49 g/mol
LogP1.62
Rot. Bonds7

About [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 55641208) has the molecular formula C20H21N5O5S and a molecular weight of 443.49 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID55641208
Molecular FormulaC20H21N5O5S
Molecular Weight443.49 g/mol
Exact Mass443.13
IUPAC Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cnn1-c1ccccn1
InChIInChI=1S/C20H21N5O5S/c1-14-17(12-22-25(14)18-9-4-5-10-21-18)20(27)30-13-19(26)23-15-7-6-8-16(11-15)31(28,29)24(2)3/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeySVBTZIUGSAHDBR-UHFFFAOYSA-N
XLogP1.62
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate 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

[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641099
[2-(4-chloroanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641337
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641236
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641393
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906032
[2-(N-methylanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629523
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 16539935
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 16528295
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 3502658
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 26178371
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
CID 166207634
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4840689

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 55641208) is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is Cc1c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cnn1-c1ccccn1.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is SVBTZIUGSAHDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S/c1-14-17(12-22-25(14)18-9-4-5-10-21-18)20(27)30-13-19(26)23-15-7-6-8-16(11-15)31(28,29)24(2)3/h4-12H,13H2,1-3H3,(H,23,26).
What are the key properties of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 443.49 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55641208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).