N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide

C24H32N2O7S — CID 22485392

IUPACN-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(C)C)cc3)cc2)CC1
InChIInChI=1S/C24H32N2O7S/c1-18(2)32-19-4-6-20(7-5-19)33-21-8-10-22(11-9-21)34(29,30)24(23(27)25-28)12-14-26(15-13-24)16-17-31-3/h4-11,18,28H,12-17H2,1-3H3,(H,25,27)
InChIKeyPFIVDCYVKKFLEU-UHFFFAOYSA-N
MW492.59 g/mol
LogP3.03
Rot. Bonds10

About N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 22485392) has the molecular formula C24H32N2O7S and a molecular weight of 492.59 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID22485392
Molecular FormulaC24H32N2O7S
Molecular Weight492.59 g/mol
Exact Mass492.19
IUPAC NameN-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(C)C)cc3)cc2)CC1
InChIInChI=1S/C24H32N2O7S/c1-18(2)32-19-4-6-20(7-5-19)33-21-8-10-22(11-9-21)34(29,30)24(23(27)25-28)12-14-26(15-13-24)16-17-31-3/h4-11,18,28H,12-17H2,1-3H3,(H,25,27)
InChIKeyPFIVDCYVKKFLEU-UHFFFAOYSA-N
XLogP3.03
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide (CID 22485392) is N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(C)C)cc3)cc2)CC1.
What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is PFIVDCYVKKFLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7S/c1-18(2)32-19-4-6-20(7-5-19)33-21-8-10-22(11-9-21)34(29,30)24(23(27)25-28)12-14-26(15-13-24)16-17-31-3/h4-11,18,28H,12-17H2,1-3H3,(H,25,27).
What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 492.59 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 22485392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).