N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide

C12H15N3O4S — CID 8841174

IUPACN-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C12H15N3O4S/c1-8-2-6-10(7-3-8)20(18,19)15-14-12(17)11(16)13-9-4-5-9/h2-3,6-7,9,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyZEHHEUXQTJHWHL-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.42
Rot. Bonds4

About N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide

N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide (PubChem CID 8841174) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
PubChem CID8841174
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C12H15N3O4S/c1-8-2-6-10(7-3-8)20(18,19)15-14-12(17)11(16)13-9-4-5-9/h2-3,6-7,9,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyZEHHEUXQTJHWHL-UHFFFAOYSA-N
XLogP-0.42
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841330
N-cyclopropyl-2-[2-(3,5-dichlorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841266
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483
N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
CID 155813594
N-cyclopropyl-2-[2-(2,5-dichlorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841216
N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841327
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
(2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 54606442

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide (CID 8841174) is N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide is Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The InChIKey is ZEHHEUXQTJHWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8-2-6-10(7-3-8)20(18,19)15-14-12(17)11(16)13-9-4-5-9/h2-3,6-7,9,15H,4-5H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide has a molecular weight of 297.34 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 8841174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).