2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide

C20H28N2O4S — CID 8515821

IUPAC2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
SMILESCOc1ccc(C)cc1S(=O)(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O4S/c1-13-3-4-17(26-2)18(5-13)27(24,25)22-21-19(23)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16,22H,6-12H2,1-2H3,(H,21,23)
InChIKeyQROZASSRXLUASU-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.92
Rot. Bonds6

About 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide

2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide (PubChem CID 8515821) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
PubChem CID8515821
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
SMILESCOc1ccc(C)cc1S(=O)(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O4S/c1-13-3-4-17(26-2)18(5-13)27(24,25)22-21-19(23)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16,22H,6-12H2,1-2H3,(H,21,23)
InChIKeyQROZASSRXLUASU-UHFFFAOYSA-N
XLogP2.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide 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

2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515553
2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
CID 8616471
N'-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylphenoxy)acetohydrazide
CID 8515456
2-(1-adamantyl)-N'-(4-chloro-2-fluorophenyl)sulfonylacetohydrazide
CID 8616537
2-(1-adamantyl)-N'-(4-bromo-2-chlorophenyl)sulfonylacetohydrazide
CID 26983035
methyl 5-[[[2-(1-adamantyl)acetyl]amino]sulfamoyl]-2-hydroxybenzoate
CID 55879812
N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9326362
2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2959876
N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide
CID 26983030
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
CID 26177229
N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 27514427

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide (CID 8515821) is 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide is COc1ccc(C)cc1S(=O)(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide?
The InChIKey is QROZASSRXLUASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-13-3-4-17(26-2)18(5-13)27(24,25)22-21-19(23)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16,22H,6-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide?
2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide has a molecular weight of 392.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8515821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).