N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide

C26H32N2O7S — CID 160744990

IUPACN-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide
SMILESCCC(=O)N1CCC2(CC1)CCC(C(=O)NO)(S(=O)(=O)c1ccc(Oc3ccc(OC)cc3)cc1)C2
InChIInChI=1S/C26H32N2O7S/c1-3-23(29)28-16-14-25(15-17-28)12-13-26(18-25,24(30)27-31)36(32,33)22-10-8-21(9-11-22)35-20-6-4-19(34-2)5-7-20/h4-11,31H,3,12-18H2,1-2H3,(H,27,30)
InChIKeyWHGLNOSEDJZNTF-UHFFFAOYSA-N
MW516.62 g/mol
LogP3.71
Rot. Bonds7

About N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide

N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 160744990) has the molecular formula C26H32N2O7S and a molecular weight of 516.62 g/mol. Its IUPAC name is N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID160744990
Molecular FormulaC26H32N2O7S
Molecular Weight516.62 g/mol
Exact Mass516.19
IUPAC NameN-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide
SMILESCCC(=O)N1CCC2(CC1)CCC(C(=O)NO)(S(=O)(=O)c1ccc(Oc3ccc(OC)cc3)cc1)C2
InChIInChI=1S/C26H32N2O7S/c1-3-23(29)28-16-14-25(15-17-28)12-13-26(18-25,24(30)27-31)36(32,33)22-10-8-21(9-11-22)35-20-6-4-19(34-2)5-7-20/h4-11,31H,3,12-18H2,1-2H3,(H,27,30)
InChIKeyWHGLNOSEDJZNTF-UHFFFAOYSA-N
XLogP3.71
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-phenyl-8-azaspiro[4.5]decane-3-carboxamide
CID 72948809
N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
CID 22707846
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 11734162
3-[4-[4-(difluoromethoxy)phenoxy]phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
CID 118179870
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 118179844
N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118734984
N-hydroxy-4-[4-(4-propylphenoxy)phenyl]sulfonylthiane-4-carboxamide
CID 20735533
[2-chloro-4-[[3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenyl] 4-methoxybenzoate
CID 118179860
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
N-(methylcarbamoyl)-8-propyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118233731
4-[3-[[3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenoxy]benzoic acid
CID 118179857
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide (CID 160744990) is N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide is CCC(=O)N1CCC2(CC1)CCC(C(=O)NO)(S(=O)(=O)c1ccc(Oc3ccc(OC)cc3)cc1)C2.
What is the InChIKey of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is WHGLNOSEDJZNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O7S/c1-3-23(29)28-16-14-25(15-17-28)12-13-26(18-25,24(30)27-31)36(32,33)22-10-8-21(9-11-22)35-20-6-4-19(34-2)5-7-20/h4-11,31H,3,12-18H2,1-2H3,(H,27,30).
What are the key properties of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide?
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 516.62 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 160744990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).