N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide

C25H28N2O6S — CID 118159020

IUPACN-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1cccc2oc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCC5(CCNCC5)C4)cc3)cc12
InChIInChI=1S/C25H28N2O6S/c1-32-20-3-2-4-21-19(20)15-22(33-21)17-5-7-18(8-6-17)34(30,31)25(23(28)27-29)10-9-24(16-25)11-13-26-14-12-24/h2-8,15,26,29H,9-14,16H2,1H3,(H,27,28)
InChIKeyFXFJBERFGWIAMV-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.68
Rot. Bonds5

About N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide

N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 118159020) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID118159020
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1cccc2oc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCC5(CCNCC5)C4)cc3)cc12
InChIInChI=1S/C25H28N2O6S/c1-32-20-3-2-4-21-19(20)15-22(33-21)17-5-7-18(8-6-17)34(30,31)25(23(28)27-29)10-9-24(16-25)11-13-26-14-12-24/h2-8,15,26,29H,9-14,16H2,1H3,(H,27,28)
InChIKeyFXFJBERFGWIAMV-UHFFFAOYSA-N
XLogP3.68
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.68
H-Bond Donors ≤ 53
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-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide (CID 118159020) is N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide is COc1cccc2oc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCC5(CCNCC5)C4)cc3)cc12.
What is the InChIKey of N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is FXFJBERFGWIAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-32-20-3-2-4-21-19(20)15-22(33-21)17-5-7-18(8-6-17)34(30,31)25(23(28)27-29)10-9-24(16-25)11-13-26-14-12-24/h2-8,15,26,29H,9-14,16H2,1H3,(H,27,28).
What are the key properties of N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide?
N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 484.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 118159020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).