2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide

C12H18N2O5S — CID 22004232

IUPAC2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCCCCOc1ccc(S(=O)(=O)NCC(=O)NO)cc1
InChIInChI=1S/C12H18N2O5S/c1-2-3-8-19-10-4-6-11(7-5-10)20(17,18)13-9-12(15)14-16/h4-7,13,16H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyWHHAEBOHMHRZGW-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.65
Rot. Bonds8

About 2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide

2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 22004232) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID22004232
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCCCCOc1ccc(S(=O)(=O)NCC(=O)NO)cc1
InChIInChI=1S/C12H18N2O5S/c1-2-3-8-19-10-4-6-11(7-5-10)20(17,18)13-9-12(15)14-16/h4-7,13,16H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyWHHAEBOHMHRZGW-UHFFFAOYSA-N
XLogP0.65
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2-(((4-(4-Fluorophenoxy)phenyl)sulfonyl)amino)-N-hydrox y-2-methylpropanamide
CID 9907286
(2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfonamido]butanamide
CID 6539670
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
Hydroxamate 27
CID 10591505
2-[(2,2,2-Trifluoroethyl)[(4-methoxyphenyl)sulfonyl]amino]acetohydroximic acid
CID 10593373

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide (CID 22004232) is 2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide is CCCCOc1ccc(S(=O)(=O)NCC(=O)NO)cc1.
What is the InChIKey of 2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is WHHAEBOHMHRZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-2-3-8-19-10-4-6-11(7-5-10)20(17,18)13-9-12(15)14-16/h4-7,13,16H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of 2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 302.35 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 22004232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).