2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide

C17H28N2O4S — CID 142683333

IUPAC2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
SMILESCCCCCN(CC(=O)NO)S(=O)(=O)c1ccc(CCCC)cc1
InChIInChI=1S/C17H28N2O4S/c1-3-5-7-13-19(14-17(20)18-21)24(22,23)16-11-9-15(10-12-16)8-6-4-2/h9-12,21H,3-8,13-14H2,1-2H3,(H,18,20)
InChIKeyMKKXOXHOJYAMMD-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.72
Rot. Bonds11

About 2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide

2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide (PubChem CID 142683333) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
PubChem CID142683333
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
SMILESCCCCCN(CC(=O)NO)S(=O)(=O)c1ccc(CCCC)cc1
InChIInChI=1S/C17H28N2O4S/c1-3-5-7-13-19(14-17(20)18-21)24(22,23)16-11-9-15(10-12-16)8-6-4-2/h9-12,21H,3-8,13-14H2,1-2H3,(H,18,20)
InChIKeyMKKXOXHOJYAMMD-UHFFFAOYSA-N
XLogP2.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353
N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
N-hydroxy-2-[pentyl-(4-phenyldiazenylphenyl)sulfonylamino]acetamide
CID 142683259
2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide
CID 143926016
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
3-[ethyl-(4-hexylphenyl)sulfonylamino]propanoic acid
CID 84557829
2-[[4-(2-chloroethyl)phenyl]sulfonyl-propylamino]-N-methylacetamide
CID 61042103
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-butylacetamide
CID 126064929
7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide
CID 141300682

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide (CID 142683333) is 2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide is CCCCCN(CC(=O)NO)S(=O)(=O)c1ccc(CCCC)cc1.
What is the InChIKey of 2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide?
The InChIKey is MKKXOXHOJYAMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-3-5-7-13-19(14-17(20)18-21)24(22,23)16-11-9-15(10-12-16)8-6-4-2/h9-12,21H,3-8,13-14H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide?
2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide has a molecular weight of 356.49 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide is sourced from PubChem (CID 142683333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).