N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide

C20H26N2O4S — CID 26983030

IUPACN'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide
SMILESCC(=O)c1cccc(S(=O)(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H26N2O4S/c1-13(23)17-3-2-4-18(8-17)27(25,26)22-21-19(24)12-20-9-14-5-15(10-20)7-16(6-14)11-20/h2-4,8,14-16,22H,5-7,9-12H2,1H3,(H,21,24)
InChIKeyCANXNUNGDZIGSV-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.81
Rot. Bonds6

About N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide

N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide (PubChem CID 26983030) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide
PubChem CID26983030
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide
SMILESCC(=O)c1cccc(S(=O)(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H26N2O4S/c1-13(23)17-3-2-4-18(8-17)27(25,26)22-21-19(24)12-20-9-14-5-15(10-20)7-16(6-14)11-20/h2-4,8,14-16,22H,5-7,9-12H2,1H3,(H,21,24)
InChIKeyCANXNUNGDZIGSV-UHFFFAOYSA-N
XLogP2.81
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide
CID 8616511
2-(1-adamantyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)acetohydrazide
CID 8616538
2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
CID 17486752
2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
CID 8616471
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 18107728
2-(1-adamantyl)-N'-(4-chloro-2-fluorophenyl)sulfonylacetohydrazide
CID 8616537
2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515821
3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 61234303
N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 26998920
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 134027331

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide?
The IUPAC name of N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide (CID 26983030) is N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide.
What is the SMILES notation for N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide?
The canonical SMILES for N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide is CC(=O)c1cccc(S(=O)(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide?
The InChIKey is CANXNUNGDZIGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-13(23)17-3-2-4-18(8-17)27(25,26)22-21-19(24)12-20-9-14-5-15(10-20)7-16(6-14)11-20/h2-4,8,14-16,22H,5-7,9-12H2,1H3,(H,21,24).
What are the key properties of N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide?
N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide has a molecular weight of 390.51 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide is sourced from PubChem (CID 26983030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).