N-(4-oxobutylsulfonyl)hexadecanamide

C20H39NO4S — CID 57454992

IUPACN-(4-oxobutylsulfonyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC=O
InChIInChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)21-26(24,25)19-16-15-18-22/h18H,2-17,19H2,1H3,(H,21,23)
InChIKeyAQQQZMOTVNOGFG-UHFFFAOYSA-N
MW389.60 g/mol
LogP4.89
Rot. Bonds19

About N-(4-oxobutylsulfonyl)hexadecanamide

N-(4-oxobutylsulfonyl)hexadecanamide (PubChem CID 57454992) has the molecular formula C20H39NO4S and a molecular weight of 389.60 g/mol. Its IUPAC name is N-(4-oxobutylsulfonyl)hexadecanamide.

Molecular Properties

Compound NameN-(4-oxobutylsulfonyl)hexadecanamide
PubChem CID57454992
Molecular FormulaC20H39NO4S
Molecular Weight389.60 g/mol
Exact Mass389.26
IUPAC NameN-(4-oxobutylsulfonyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC=O
InChIInChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)21-26(24,25)19-16-15-18-22/h18H,2-17,19H2,1H3,(H,21,23)
InChIKeyAQQQZMOTVNOGFG-UHFFFAOYSA-N
XLogP4.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-oxobutylsulfonyl)hexadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butylsulfonylhexadecanamide
CID 58954596
N-pentylsulfonylundecanamide
CID 87719410
18-(butylsulfonylamino)-18-oxooctadecanoic acid
CID 58954514
N-[3-(butanoylsulfamoyl)propyl]hexanamide
CID 170966234
N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide
CID 88573346
14-oxo-N-pentadecyltetradecanamide
CID 90756507
9-oxotetradecanal
CID 13272684
N-(3-oxopropyl)octanamide
CID 163482929
N-nonylsulfonylacetamide
CID 87711188
6-oxo-N-pentylhexanamide
CID 90124095
18-oxo-18-(4-oxopentylsulfonylamino)octadecanoic acid
CID 161187387
methane;2-[[(Z)-octadec-9-enoyl]sulfamoyl]ethylazanium;2,2,2-trifluoroacetate
CID 167616549

Frequently Asked Questions

What is the IUPAC name of N-(4-oxobutylsulfonyl)hexadecanamide?
The IUPAC name of N-(4-oxobutylsulfonyl)hexadecanamide (CID 57454992) is N-(4-oxobutylsulfonyl)hexadecanamide.
What is the SMILES notation for N-(4-oxobutylsulfonyl)hexadecanamide?
The canonical SMILES for N-(4-oxobutylsulfonyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC=O.
What is the InChIKey of N-(4-oxobutylsulfonyl)hexadecanamide?
The InChIKey is AQQQZMOTVNOGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)21-26(24,25)19-16-15-18-22/h18H,2-17,19H2,1H3,(H,21,23).
What are the key properties of N-(4-oxobutylsulfonyl)hexadecanamide?
N-(4-oxobutylsulfonyl)hexadecanamide has a molecular weight of 389.60 g/mol, XLogP of 4.89, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxobutylsulfonyl)hexadecanamide is sourced from PubChem (CID 57454992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).