N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide

C19H24N2O4S — CID 11848949

IUPACN-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide
SMILESO=C(CCCC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1)NO
InChIInChI=1S/C19H24N2O4S/c22-19(20-23)10-3-5-15-11-13-21(14-12-15)26(24,25)18-9-4-7-16-6-1-2-8-17(16)18/h1-2,4,6-9,15,23H,3,5,10-14H2,(H,20,22)
InChIKeyHRNWQJXIALRVME-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.92
Rot. Bonds6

About N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide

N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide (PubChem CID 11848949) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide.

Molecular Properties

Compound NameN-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide
PubChem CID11848949
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide
SMILESO=C(CCCC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1)NO
InChIInChI=1S/C19H24N2O4S/c22-19(20-23)10-3-5-15-11-13-21(14-12-15)26(24,25)18-9-4-7-16-6-1-2-8-17(16)18/h1-2,4,6-9,15,23H,3,5,10-14H2,(H,20,22)
InChIKeyHRNWQJXIALRVME-UHFFFAOYSA-N
XLogP2.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide?
The IUPAC name of N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide (CID 11848949) is N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide.
What is the SMILES notation for N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide?
The canonical SMILES for N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide is O=C(CCCC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1)NO.
What is the InChIKey of N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide?
The InChIKey is HRNWQJXIALRVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c22-19(20-23)10-3-5-15-11-13-21(14-12-15)26(24,25)18-9-4-7-16-6-1-2-8-17(16)18/h1-2,4,6-9,15,23H,3,5,10-14H2,(H,20,22).
What are the key properties of N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide?
N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide has a molecular weight of 376.48 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 N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide is sourced from PubChem (CID 11848949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).