N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C22H27N3O6S — CID 118179843

IUPACN-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CC4(CCNCC4)CN3)cc2)cc1
InChIInChI=1S/C22H27N3O6S/c1-30-16-2-4-17(5-3-16)31-18-6-8-19(9-7-18)32(28,29)22(20(26)25-27)14-21(15-24-22)10-12-23-13-11-21/h2-9,23-24,27H,10-15H2,1H3,(H,25,26)
InChIKeyXHPHKZWPYIMZGW-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.83
Rot. Bonds6

About N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide

N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 118179843) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID118179843
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC NameN-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CC4(CCNCC4)CN3)cc2)cc1
InChIInChI=1S/C22H27N3O6S/c1-30-16-2-4-17(5-3-16)31-18-6-8-19(9-7-18)32(28,29)22(20(26)25-27)14-21(15-24-22)10-12-23-13-11-21/h2-9,23-24,27H,10-15H2,1H3,(H,25,26)
InChIKeyXHPHKZWPYIMZGW-UHFFFAOYSA-N
XLogP1.83
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.83
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 118179843) is N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide is COc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CC4(CCNCC4)CN3)cc2)cc1.
What is the InChIKey of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is XHPHKZWPYIMZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-30-16-2-4-17(5-3-16)31-18-6-8-19(9-7-18)32(28,29)22(20(26)25-27)14-21(15-24-22)10-12-23-13-11-21/h2-9,23-24,27H,10-15H2,1H3,(H,25,26).
What are the key properties of N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 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-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 118179843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).