1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

C23H27F3N2O7S — CID 20735191

IUPAC1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H27F3N2O7S/c1-2-33-16-15-28-13-11-22(12-14-28,21(29)27-30)36(31,32)20-9-7-18(8-10-20)34-17-3-5-19(6-4-17)35-23(24,25)26/h3-10,30H,2,11-16H2,1H3,(H,27,29)
InChIKeyOTKHAYOLIGHFRB-UHFFFAOYSA-N
MW532.54 g/mol
LogP3.53
Rot. Bonds10

About 1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 20735191) has the molecular formula C23H27F3N2O7S and a molecular weight of 532.54 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID20735191
Molecular FormulaC23H27F3N2O7S
Molecular Weight532.54 g/mol
Exact Mass532.15
IUPAC Name1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H27F3N2O7S/c1-2-33-16-15-28-13-11-22(12-14-28,21(29)27-30)36(31,32)20-9-7-18(8-10-20)34-17-3-5-19(6-4-17)35-23(24,25)26/h3-10,30H,2,11-16H2,1H3,(H,27,29)
InChIKeyOTKHAYOLIGHFRB-UHFFFAOYSA-N
XLogP3.53
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 20735191) is 1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is CCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is OTKHAYOLIGHFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O7S/c1-2-33-16-15-28-13-11-22(12-14-28,21(29)27-30)36(31,32)20-9-7-18(8-10-20)34-17-3-5-19(6-4-17)35-23(24,25)26/h3-10,30H,2,11-16H2,1H3,(H,27,29).
What are the key properties of 1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 532.54 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20735191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).