N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide

C9H16N4O4S — CID 107940637

IUPACN-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1nn(C)cc1S(N)(=O)=O
InChIInChI=1S/C9H16N4O4S/c1-3-4-17-6-8(14)11-9-7(18(10,15)16)5-13(2)12-9/h5H,3-4,6H2,1-2H3,(H2,10,15,16)(H,11,12,14)
InChIKeyPIUGKIAUKGLBIX-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.57
Rot. Bonds6

About N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide

N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide (PubChem CID 107940637) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide
PubChem CID107940637
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC NameN-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1nn(C)cc1S(N)(=O)=O
InChIInChI=1S/C9H16N4O4S/c1-3-4-17-6-8(14)11-9-7(18(10,15)16)5-13(2)12-9/h5H,3-4,6H2,1-2H3,(H2,10,15,16)(H,11,12,14)
InChIKeyPIUGKIAUKGLBIX-UHFFFAOYSA-N
XLogP-0.57
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide
CID 107938878
1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132638
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-(oxolan-2-yl)acetamide
CID 65159312
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038
3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61131914
N-(1-methyl-4-sulfamoylpyrazol-3-yl)piperidine-1-carboxamide
CID 79155036
1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132750
1,5-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-3-carboxamide
CID 114219136
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-4-carboxamide
CID 106753989
2-methoxy-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129046
1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132441

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide?
The IUPAC name of N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide (CID 107940637) is N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide?
The canonical SMILES for N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide is CCCOCC(=O)Nc1nn(C)cc1S(N)(=O)=O.
What is the InChIKey of N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide?
The InChIKey is PIUGKIAUKGLBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-3-4-17-6-8(14)11-9-7(18(10,15)16)5-13(2)12-9/h5H,3-4,6H2,1-2H3,(H2,10,15,16)(H,11,12,14).
What are the key properties of N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide?
N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide has a molecular weight of 276.32 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide is sourced from PubChem (CID 107940637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).