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

C20H26N2O4S — CID 11848899

IUPACN-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide
SMILESCc1cc(S(=O)(=O)N2CCC(CCCC(=O)NO)CC2)cc2ccccc12
InChIInChI=1S/C20H26N2O4S/c1-15-13-18(14-17-6-2-3-7-19(15)17)27(25,26)22-11-9-16(10-12-22)5-4-8-20(23)21-24/h2-3,6-7,13-14,16,24H,4-5,8-12H2,1H3,(H,21,23)
InChIKeyVXFNAKBFDIXUIE-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.22
Rot. Bonds6

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

N-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide (PubChem CID 11848899) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide
PubChem CID11848899
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide
SMILESCc1cc(S(=O)(=O)N2CCC(CCCC(=O)NO)CC2)cc2ccccc12
InChIInChI=1S/C20H26N2O4S/c1-15-13-18(14-17-6-2-3-7-19(15)17)27(25,26)22-11-9-16(10-12-22)5-4-8-20(23)21-24/h2-3,6-7,13-14,16,24H,4-5,8-12H2,1H3,(H,21,23)
InChIKeyVXFNAKBFDIXUIE-UHFFFAOYSA-N
XLogP3.22
TPSA86.71 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 ≤ 53.22
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-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide?
The IUPAC name of N-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide (CID 11848899) is N-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide.
What is the SMILES notation for N-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide?
The canonical SMILES for N-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide is Cc1cc(S(=O)(=O)N2CCC(CCCC(=O)NO)CC2)cc2ccccc12.
What is the InChIKey of N-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide?
The InChIKey is VXFNAKBFDIXUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-13-18(14-17-6-2-3-7-19(15)17)27(25,26)22-11-9-16(10-12-22)5-4-8-20(23)21-24/h2-3,6-7,13-14,16,24H,4-5,8-12H2,1H3,(H,21,23).
What are the key properties of N-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide?
N-hydroxy-4-[1-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide has a molecular weight of 390.51 g/mol, XLogP of 3.22, 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-(4-methylnaphthalen-2-yl)sulfonylpiperidin-4-yl]butanamide is sourced from PubChem (CID 11848899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).