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

C19H26N2O5S — CID 71462975

IUPAC2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26N2O5S/c1-26-16-2-4-17(5-3-16)27(24,25)21(12-18(22)20-23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,23H,6-12H2,1H3,(H,20,22)
InChIKeyYRNDCSSKXRTPOA-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.16
Rot. Bonds6

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

2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 71462975) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID71462975
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26N2O5S/c1-26-16-2-4-17(5-3-16)27(24,25)21(12-18(22)20-23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,23H,6-12H2,1H3,(H,20,22)
InChIKeyYRNDCSSKXRTPOA-UHFFFAOYSA-N
XLogP2.16
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3920584
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-pentan-2-ylamino]acetamide
CID 4224
N-[4-(1-adamantyl)phenyl]-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126035524
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide
CID 22907189
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 18159466
N-(1-adamantyl)-4-methoxy-N-methylbenzamide
CID 9429784
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetamide
CID 10760373
1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide
CID 22907056
1-(1-adamantyl)-2-(4-methoxyphenoxy)ethanone
CID 102403256
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906

Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (CID 71462975) is 2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is YRNDCSSKXRTPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-26-16-2-4-17(5-3-16)27(24,25)21(12-18(22)20-23)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-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 394.49 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 71462975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).