2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide

C18H24N2O4S — CID 143926016

IUPAC2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide
SMILESCCCCCCN(CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O4S/c1-2-3-4-7-12-20(14-18(21)19-22)25(23,24)17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-11,13,22H,2-4,7,12,14H2,1H3,(H,19,21)
InChIKeyGMRKFRQVOVATCY-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.92
Rot. Bonds9

About 2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide

2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide (PubChem CID 143926016) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide
PubChem CID143926016
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide
SMILESCCCCCCN(CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O4S/c1-2-3-4-7-12-20(14-18(21)19-22)25(23,24)17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-11,13,22H,2-4,7,12,14H2,1H3,(H,19,21)
InChIKeyGMRKFRQVOVATCY-UHFFFAOYSA-N
XLogP2.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.92
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-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769416
N-hydroxy-2-[pentyl-(4-phenyldiazenylphenyl)sulfonylamino]acetamide
CID 142683259
2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683333
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353
N-hydroxy-2-[pentyl-[3-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 142683284
N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide
CID 18325178
6-[butyl(naphthalen-2-ylsulfonyl)amino]-2-(decanoylamino)hexanoic acid
CID 101015981
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
N-hydroxy-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 91027075
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[(2S)-pentan-2-yl]acetamide
CID 92518793
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343
3-[2-[2-carboxyethyl(naphthalen-2-ylsulfonyl)amino]ethyl-naphthalen-2-ylsulfonylamino]propanoic acid
CID 151966350

Frequently Asked Questions

What is the IUPAC name of 2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide (CID 143926016) is 2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide is CCCCCCN(CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide?
The InChIKey is GMRKFRQVOVATCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-2-3-4-7-12-20(14-18(21)19-22)25(23,24)17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-11,13,22H,2-4,7,12,14H2,1H3,(H,19,21).
What are the key properties of 2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide?
2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide has a molecular weight of 364.47 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 143926016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).