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

C24H29N3O6S — CID 118734984

IUPACN-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
SMILESCNC(=O)c1cccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCC4(CCNCC4)C3)cc2)c1
InChIInChI=1S/C24H29N3O6S/c1-25-21(28)17-3-2-4-19(15-17)33-18-5-7-20(8-6-18)34(31,32)24(22(29)27-30)10-9-23(16-24)11-13-26-14-12-23/h2-8,15,26,30H,9-14,16H2,1H3,(H,25,28)(H,27,29)
InChIKeyBXWCXHOLABLTBZ-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.41
Rot. Bonds6

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

N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 118734984) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID118734984
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC NameN-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
SMILESCNC(=O)c1cccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCC4(CCNCC4)C3)cc2)c1
InChIInChI=1S/C24H29N3O6S/c1-25-21(28)17-3-2-4-19(15-17)33-18-5-7-20(8-6-18)34(31,32)24(22(29)27-30)10-9-23(16-24)11-13-26-14-12-23/h2-8,15,26,30H,9-14,16H2,1H3,(H,25,28)(H,27,29)
InChIKeyBXWCXHOLABLTBZ-UHFFFAOYSA-N
XLogP2.41
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.41
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide (CID 118734984) is N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide is CNC(=O)c1cccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCC4(CCNCC4)C3)cc2)c1.
What is the InChIKey of N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is BXWCXHOLABLTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-25-21(28)17-3-2-4-19(15-17)33-18-5-7-20(8-6-18)34(31,32)24(22(29)27-30)10-9-23(16-24)11-13-26-14-12-23/h2-8,15,26,30H,9-14,16H2,1H3,(H,25,28)(H,27,29).
What are the key properties of N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 2.41, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 118734984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).