2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide

C19H26N2O6S — CID 127036461

IUPAC2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26N2O6S/c1-26-16-2-4-17(5-3-16)28(24,25)21(12-18(22)20-23)27-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,23H,6-12H2,1H3,(H,20,22)
InChIKeyJEFYLCAEXSESND-UHFFFAOYSA-N
MW410.49 g/mol
LogP2.09
Rot. Bonds7

About 2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide

2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 127036461) has the molecular formula C19H26N2O6S and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID127036461
Molecular FormulaC19H26N2O6S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26N2O6S/c1-26-16-2-4-17(5-3-16)28(24,25)21(12-18(22)20-23)27-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,23H,6-12H2,1H3,(H,20,22)
InChIKeyJEFYLCAEXSESND-UHFFFAOYSA-N
XLogP2.09
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (CID 127036461) is 2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)OC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is JEFYLCAEXSESND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6S/c1-26-16-2-4-17(5-3-16)28(24,25)21(12-18(22)20-23)27-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,23H,6-12H2,1H3,(H,20,22).
What are the key properties of 2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 410.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantyloxy-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 127036461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).