1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide

C20H22N2O6S — CID 11619415

IUPAC1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O6S/c1-15(23)22-13-11-20(12-14-22,19(24)21-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-2-4-6-16/h2-10,25H,11-14H2,1H3,(H,21,24)
InChIKeyIBMBDMBDQPRIQW-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.14
Rot. Bonds5

About 1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide

1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 11619415) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID11619415
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O6S/c1-15(23)22-13-11-20(12-14-22,19(24)21-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-2-4-6-16/h2-10,25H,11-14H2,1H3,(H,21,24)
InChIKeyIBMBDMBDQPRIQW-UHFFFAOYSA-N
XLogP2.14
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.14
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 1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 11619415) is 1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IBMBDMBDQPRIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-15(23)22-13-11-20(12-14-22,19(24)21-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-2-4-6-16/h2-10,25H,11-14H2,1H3,(H,21,24).
What are the key properties of 1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11619415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).