N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide

C20H24F2N2O4S — CID 26177148

IUPACN'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H24F2N2O4S/c21-19(22)29(27,28)16-3-1-15(2-4-16)18(26)24-23-17(25)11-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14,19H,5-11H2,(H,23,25)(H,24,26)
InChIKeyZIHCLSNJRCZKRP-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.05
Rot. Bonds5

About N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide

N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide (PubChem CID 26177148) has the molecular formula C20H24F2N2O4S and a molecular weight of 426.49 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide
PubChem CID26177148
Molecular FormulaC20H24F2N2O4S
Molecular Weight426.49 g/mol
Exact Mass426.14
IUPAC NameN'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H24F2N2O4S/c21-19(22)29(27,28)16-3-1-15(2-4-16)18(26)24-23-17(25)11-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14,19H,5-11H2,(H,23,25)(H,24,26)
InChIKeyZIHCLSNJRCZKRP-UHFFFAOYSA-N
XLogP3.05
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.05
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

4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24636731
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
CID 7917870
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707
N'-[2-(1-adamantyl)acetyl]-4-(methylsulfanylmethyl)benzohydrazide
CID 7978897
N'-[2-(1-adamantyl)acetyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide
CID 4831478
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 18107728
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide (CID 26177148) is N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide is O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide?
The InChIKey is ZIHCLSNJRCZKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O4S/c21-19(22)29(27,28)16-3-1-15(2-4-16)18(26)24-23-17(25)11-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14,19H,5-11H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide?
N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide has a molecular weight of 426.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide is sourced from PubChem (CID 26177148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).