N-butylsulfonylhexadecanamide

C20H41NO3S — CID 58954596

IUPACN-butylsulfonylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC
InChIInChI=1S/C20H41NO3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(22)21-25(23,24)19-6-4-2/h3-19H2,1-2H3,(H,21,22)
InChIKeyGKZPKNBYYKUWBQ-UHFFFAOYSA-N
MW375.62 g/mol
LogP5.71
Rot. Bonds18

About N-butylsulfonylhexadecanamide

N-butylsulfonylhexadecanamide (PubChem CID 58954596) has the molecular formula C20H41NO3S and a molecular weight of 375.62 g/mol. Its IUPAC name is N-butylsulfonylhexadecanamide.

Molecular Properties

Compound NameN-butylsulfonylhexadecanamide
PubChem CID58954596
Molecular FormulaC20H41NO3S
Molecular Weight375.62 g/mol
Exact Mass375.28
IUPAC NameN-butylsulfonylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC
InChIInChI=1S/C20H41NO3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(22)21-25(23,24)19-6-4-2/h3-19H2,1-2H3,(H,21,22)
InChIKeyGKZPKNBYYKUWBQ-UHFFFAOYSA-N
XLogP5.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.62
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentylsulfonylundecanamide
CID 87719410
18-(butylsulfonylamino)-18-oxooctadecanoic acid
CID 58954514
N-(4-oxobutylsulfonyl)hexadecanamide
CID 57454992
N-[3-(butanoylsulfamoyl)propyl]hexanamide
CID 170966234
N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide
CID 88573346
N-nonylsulfonylacetamide
CID 87711188
18-oxo-18-(4-oxopentylsulfonylamino)octadecanoic acid
CID 161187387
N-butylsulfonylprop-2-enamide
CID 130339621
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
methane;2-[[(Z)-octadec-9-enoyl]sulfamoyl]ethylazanium;2,2,2-trifluoroacetate
CID 167616549
N-[6-[4-(2-methoxyethyl)piperidin-1-yl]-6-oxohexyl]sulfonylhexadecanamide
CID 90441673

Frequently Asked Questions

What is the IUPAC name of N-butylsulfonylhexadecanamide?
The IUPAC name of N-butylsulfonylhexadecanamide (CID 58954596) is N-butylsulfonylhexadecanamide.
What is the SMILES notation for N-butylsulfonylhexadecanamide?
The canonical SMILES for N-butylsulfonylhexadecanamide is CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC.
What is the InChIKey of N-butylsulfonylhexadecanamide?
The InChIKey is GKZPKNBYYKUWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(22)21-25(23,24)19-6-4-2/h3-19H2,1-2H3,(H,21,22).
What are the key properties of N-butylsulfonylhexadecanamide?
N-butylsulfonylhexadecanamide has a molecular weight of 375.62 g/mol, XLogP of 5.71, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonylhexadecanamide is sourced from PubChem (CID 58954596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).