[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate

C18H25N3O6S — CID 8944471

IUPAC[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCC(=O)NNC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H25N3O6S/c1-13(22)19-20-17(23)12-27-18(24)14-8-10-16(11-9-14)28(25,26)21(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBOSGCTOSHVGEHJ-UHFFFAOYSA-N
MW411.48 g/mol
LogP0.96
Rot. Bonds6

About [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate

[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate (PubChem CID 8944471) has the molecular formula C18H25N3O6S and a molecular weight of 411.48 g/mol. Its IUPAC name is [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
PubChem CID8944471
Molecular FormulaC18H25N3O6S
Molecular Weight411.48 g/mol
Exact Mass411.15
IUPAC Name[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCC(=O)NNC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H25N3O6S/c1-13(22)19-20-17(23)12-27-18(24)14-8-10-16(11-9-14)28(25,26)21(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBOSGCTOSHVGEHJ-UHFFFAOYSA-N
XLogP0.96
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944489
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46610985
[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 4544453
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944484
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199124
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 97092252
N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide
CID 27598657
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46624780
N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate (CID 8944471) is [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate is CC(=O)NNC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The InChIKey is BOSGCTOSHVGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6S/c1-13(22)19-20-17(23)12-27-18(24)14-8-10-16(11-9-14)28(25,26)21(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate has a molecular weight of 411.48 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 8944471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).