N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide

C27H30N2O5S — CID 11548265

IUPACN-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C27H30N2O5S/c30-26(28-31)27(16-19-29(20-17-27)18-15-22-7-3-1-4-8-22)21-35(32,33)25-13-11-24(12-14-25)34-23-9-5-2-6-10-23/h1-14,31H,15-21H2,(H,28,30)
InChIKeyPUHDBKGWNNZTBP-UHFFFAOYSA-N
MW494.61 g/mol
LogP4.08
Rot. Bonds9

About N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide

N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 11548265) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID11548265
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC NameN-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C27H30N2O5S/c30-26(28-31)27(16-19-29(20-17-27)18-15-22-7-3-1-4-8-22)21-35(32,33)25-13-11-24(12-14-25)34-23-9-5-2-6-10-23/h1-14,31H,15-21H2,(H,28,30)
InChIKeyPUHDBKGWNNZTBP-UHFFFAOYSA-N
XLogP4.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide (CID 11548265) is N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide is O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is PUHDBKGWNNZTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5S/c30-26(28-31)27(16-19-29(20-17-27)18-15-22-7-3-1-4-8-22)21-35(32,33)25-13-11-24(12-14-25)34-23-9-5-2-6-10-23/h1-14,31H,15-21H2,(H,28,30).
What are the key properties of N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide?
N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 494.61 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 11548265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).