N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide

C18H28N2O4S — CID 57394371

IUPACN-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(2)16-6-8-17(9-7-16)25(23,24)20-12-10-15(11-13-20)4-3-5-18(21)19-22/h6-9,14-15,22H,3-5,10-13H2,1-2H3,(H,19,21)
InChIKeyIPAKZVMBYBRAQM-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.89
Rot. Bonds7

About N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide

N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide (PubChem CID 57394371) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide
PubChem CID57394371
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(2)16-6-8-17(9-7-16)25(23,24)20-12-10-15(11-13-20)4-3-5-18(21)19-22/h6-9,14-15,22H,3-5,10-13H2,1-2H3,(H,19,21)
InChIKeyIPAKZVMBYBRAQM-UHFFFAOYSA-N
XLogP2.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.89
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'}

Analyze N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide?
The IUPAC name of N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide (CID 57394371) is N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide.
What is the SMILES notation for N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide?
The canonical SMILES for N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide is CC(C)c1ccc(S(=O)(=O)N2CCC(CCCC(=O)NO)CC2)cc1.
What is the InChIKey of N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide?
The InChIKey is IPAKZVMBYBRAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(2)16-6-8-17(9-7-16)25(23,24)20-12-10-15(11-13-20)4-3-5-18(21)19-22/h6-9,14-15,22H,3-5,10-13H2,1-2H3,(H,19,21).
What are the key properties of N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide?
N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide has a molecular weight of 368.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide is sourced from PubChem (CID 57394371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).