[2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

C20H20N4O5S — CID 4969335

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H20N4O5S/c1-13-19(14(2)24(23-13)16-8-4-3-5-9-16)20(26)29-12-18(25)22-15-7-6-10-17(11-15)30(21,27)28/h3-11H,12H2,1-2H3,(H,22,25)(H2,21,27,28)
InChIKeyNXBBRECXVZAACP-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.93
Rot. Bonds6

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate (PubChem CID 4969335) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
PubChem CID4969335
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H20N4O5S/c1-13-19(14(2)24(23-13)16-8-4-3-5-9-16)20(26)29-12-18(25)22-15-7-6-10-17(11-15)30(21,27)28/h3-11H,12H2,1-2H3,(H,22,25)(H2,21,27,28)
InChIKeyNXBBRECXVZAACP-UHFFFAOYSA-N
XLogP1.93
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate (CID 4969335) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate is Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is NXBBRECXVZAACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-13-19(14(2)24(23-13)16-8-4-3-5-9-16)20(26)29-12-18(25)22-15-7-6-10-17(11-15)30(21,27)28/h3-11H,12H2,1-2H3,(H,22,25)(H2,21,27,28).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 428.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 4969335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).