N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide

C22H26N2O7S — CID 118179844

IUPACN-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)COC4(CCNCC4)C3)cc2)cc1
InChIInChI=1S/C22H26N2O7S/c1-29-16-2-4-17(5-3-16)31-18-6-8-19(9-7-18)32(27,28)22(20(25)24-26)14-21(30-15-22)10-12-23-13-11-21/h2-9,23,26H,10-15H2,1H3,(H,24,25)
InChIKeyHMGDOXOJJSGFFB-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.05
Rot. Bonds6

About N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide

N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 118179844) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID118179844
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC NameN-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)COC4(CCNCC4)C3)cc2)cc1
InChIInChI=1S/C22H26N2O7S/c1-29-16-2-4-17(5-3-16)31-18-6-8-19(9-7-18)32(27,28)22(20(25)24-26)14-21(30-15-22)10-12-23-13-11-21/h2-9,23,26H,10-15H2,1H3,(H,24,25)
InChIKeyHMGDOXOJJSGFFB-UHFFFAOYSA-N
XLogP2.05
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.05
H-Bond Donors ≤ 53
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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Related Compounds

N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
CID 22707846
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 10938505
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 118179843
N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22485386
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-phenyl-8-azaspiro[4.5]decane-3-carboxamide
CID 72948809
4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride
CID 158016230
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 11734162
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide
CID 160744990
3-[4-[4-(difluoromethoxy)phenoxy]phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
CID 118179870
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
N-hydroxy-4-[4-(4-propylphenoxy)phenyl]sulfonylthiane-4-carboxamide
CID 20735533

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide (CID 118179844) is N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide is COc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)COC4(CCNCC4)C3)cc2)cc1.
What is the InChIKey of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is HMGDOXOJJSGFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-29-16-2-4-17(5-3-16)31-18-6-8-19(9-7-18)32(27,28)22(20(25)24-26)14-21(30-15-22)10-12-23-13-11-21/h2-9,23,26H,10-15H2,1H3,(H,24,25).
What are the key properties of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide?
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 118179844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).