3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide

C23H29N3O7S2 — CID 54283206

IUPAC3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)NCC(NS(=O)(=O)c1cccc3ccccc13)C(=O)NO)C(=O)C2
InChIInChI=1S/C23H29N3O7S2/c1-22(2)16-10-11-23(22,20(27)12-16)14-34(30,31)24-13-18(21(28)25-29)26-35(32,33)19-9-5-7-15-6-3-4-8-17(15)19/h3-9,16,18,24,26,29H,10-14H2,1-2H3,(H,25,28)
InChIKeyRSGFGRWJKOZUME-UHFFFAOYSA-N
MW523.63 g/mol
LogP1.31
Rot. Bonds9

About 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide

3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide (PubChem CID 54283206) has the molecular formula C23H29N3O7S2 and a molecular weight of 523.63 g/mol. Its IUPAC name is 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide
PubChem CID54283206
Molecular FormulaC23H29N3O7S2
Molecular Weight523.63 g/mol
Exact Mass523.14
IUPAC Name3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)NCC(NS(=O)(=O)c1cccc3ccccc13)C(=O)NO)C(=O)C2
InChIInChI=1S/C23H29N3O7S2/c1-22(2)16-10-11-23(22,20(27)12-16)14-34(30,31)24-13-18(21(28)25-29)26-35(32,33)19-9-5-7-15-6-3-4-8-17(15)19/h3-9,16,18,24,26,29H,10-14H2,1-2H3,(H,25,28)
InChIKeyRSGFGRWJKOZUME-UHFFFAOYSA-N
XLogP1.31
TPSA158.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.63
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxypropanamide
CID 54394714
1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2S)-2-hydroxy-3-phenylpropyl]methanesulfonamide
CID 100834467
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide
CID 59854274
2-[[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]acetic acid
CID 98219170
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2S,4S)-4-hydroxy-2-methylpentyl]methanesulfonamide
CID 100845712
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]methanesulfonamide
CID 100845722
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 124588115
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-methylpropanamide
CID 142632514
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-ethylphenyl)methanesulfonamide
CID 5268681
1-[(4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 74224777
2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide
CID 7939190
3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-methylpropanamide
CID 51088742

Frequently Asked Questions

What is the IUPAC name of 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide?
The IUPAC name of 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide (CID 54283206) is 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide.
What is the SMILES notation for 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide?
The canonical SMILES for 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide is CC1(C)C2CCC1(CS(=O)(=O)NCC(NS(=O)(=O)c1cccc3ccccc13)C(=O)NO)C(=O)C2.
What is the InChIKey of 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide?
The InChIKey is RSGFGRWJKOZUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S2/c1-22(2)16-10-11-23(22,20(27)12-16)14-34(30,31)24-13-18(21(28)25-29)26-35(32,33)19-9-5-7-15-6-3-4-8-17(15)19/h3-9,16,18,24,26,29H,10-14H2,1-2H3,(H,25,28).
What are the key properties of 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide?
3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide has a molecular weight of 523.63 g/mol, XLogP of 1.31, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-hydroxy-2-(naphthalen-1-ylsulfonylamino)propanamide is sourced from PubChem (CID 54283206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).