[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate

C16H20N4O5S — CID 55449590

IUPAC[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1cc(C)n(CC(=O)OC(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C16H20N4O5S/c1-10-7-11(2)20(19-10)9-15(21)25-12(3)16(22)18-13-5-4-6-14(8-13)26(17,23)24/h4-8,12H,9H2,1-3H3,(H,18,22)(H2,17,23,24)
InChIKeyXDINCEAJYQCIMM-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.72
Rot. Bonds6

About [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate

[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 55449590) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate
PubChem CID55449590
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC Name[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1cc(C)n(CC(=O)OC(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C16H20N4O5S/c1-10-7-11(2)20(19-10)9-15(21)25-12(3)16(22)18-13-5-4-6-14(8-13)26(17,23)24/h4-8,12H,9H2,1-3H3,(H,18,22)(H2,17,23,24)
InChIKeyXDINCEAJYQCIMM-UHFFFAOYSA-N
XLogP0.72
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate 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

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 27727127
[1-(3-methylanilino)-1-oxopropan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55506736
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55449776
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55419689
[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 8970855
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate
CID 55416915
[(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 8578437
[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8999499
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-(dimethylamino)benzoate
CID 46619536
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 55423605
[(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 9062688
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55547178

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate (CID 55449590) is [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate is Cc1cc(C)n(CC(=O)OC(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)n1.
What is the InChIKey of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is XDINCEAJYQCIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-10-7-11(2)20(19-10)9-15(21)25-12(3)16(22)18-13-5-4-6-14(8-13)26(17,23)24/h4-8,12H,9H2,1-3H3,(H,18,22)(H2,17,23,24).
What are the key properties of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate?
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 380.43 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 55449590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).