2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide

C13H20N2O5S — CID 10734191

IUPAC2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)C(C)(C)C)cc1
InChIInChI=1S/C13H20N2O5S/c1-13(2,3)15(9-12(16)14-17)21(18,19)11-7-5-10(20-4)6-8-11/h5-8,17H,9H2,1-4H3,(H,14,16)
InChIKeyTUZPTIWMMRICKC-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.99
Rot. Bonds5

About 2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide

2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 10734191) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID10734191
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)C(C)(C)C)cc1
InChIInChI=1S/C13H20N2O5S/c1-13(2,3)15(9-12(16)14-17)21(18,19)11-7-5-10(20-4)6-8-11/h5-8,17H,9H2,1-4H3,(H,14,16)
InChIKeyTUZPTIWMMRICKC-UHFFFAOYSA-N
XLogP0.99
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.99
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

N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
N-Hydroxy-4-((4-Methoxylphenyl)Sulfonyl)-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide
CID 5288814
2-(((4-(4-Fluorophenoxy)phenyl)sulfonyl)amino)-N-hydrox y-2-methylpropanamide
CID 9907286
Mmp inhibitor II
CID 4218
N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
CID 46829322
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl]amino]-3-methylbutanamide
CID 6539651
Hydroxamate 21
CID 6916013
2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamido}-N-hydroxyacetamide
CID 9948666
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]glycinamide
CID 10445302
2-{[4-(cyclohexylmethoxy)benzene](2-methylpropyl)sulfonamido}-N-hydroxyacetamide
CID 10524926
N-hydroxy-2-[(2-methylpropyl)[4-(propan-2-yloxy)benzene]sulfonamido]acetamide
CID 10569469
N-hydroxy-2-[(4-methoxybenzene)(2-phenylethyl)sulfonamido]acetamide
CID 10570770

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (CID 10734191) is 2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)C(C)(C)C)cc1.
What is the InChIKey of 2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is TUZPTIWMMRICKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-13(2,3)15(9-12(16)14-17)21(18,19)11-7-5-10(20-4)6-8-11/h5-8,17H,9H2,1-4H3,(H,14,16).
What are the key properties of 2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 316.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 10734191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).