N-[3-(butanoylsulfamoyl)propyl]hexanamide

C13H26N2O4S — CID 170966234

IUPACN-[3-(butanoylsulfamoyl)propyl]hexanamide
SMILESCCCCCC(=O)NCCCS(=O)(=O)NC(=O)CCC
InChIInChI=1S/C13H26N2O4S/c1-3-5-6-9-12(16)14-10-7-11-20(18,19)15-13(17)8-4-2/h3-11H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUXTCNQSNRCDGCQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.32
Rot. Bonds11

About N-[3-(butanoylsulfamoyl)propyl]hexanamide

N-[3-(butanoylsulfamoyl)propyl]hexanamide (PubChem CID 170966234) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[3-(butanoylsulfamoyl)propyl]hexanamide.

Molecular Properties

Compound NameN-[3-(butanoylsulfamoyl)propyl]hexanamide
PubChem CID170966234
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-[3-(butanoylsulfamoyl)propyl]hexanamide
SMILESCCCCCC(=O)NCCCS(=O)(=O)NC(=O)CCC
InChIInChI=1S/C13H26N2O4S/c1-3-5-6-9-12(16)14-10-7-11-20(18,19)15-13(17)8-4-2/h3-11H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUXTCNQSNRCDGCQ-UHFFFAOYSA-N
XLogP1.32
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butylsulfonylhexadecanamide
CID 58954596
N-pentylsulfonylundecanamide
CID 87719410
N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide
CID 88573346
3-(hexanoylamino)propane-1-sulfonic acid
CID 122611271
3-(icosanoylamino)propane-1-sulfonic acid
CID 101283712
3-(octanoylamino)propane-1-sulfonic acid
CID 101283667
N-[3-[ethyl(dimethyl)-λ4-sulfanyl]propyl]octadecanamide
CID 141424024
N-(4-oxobutylsulfonyl)hexadecanamide
CID 57454992
18-(butylsulfonylamino)-18-oxooctadecanoic acid
CID 58954514
4-(nonadecanoylamino)butane-1-sulfonic acid
CID 101284415
N-hexadecylhexanamide
CID 4953738
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylsulfamoyl)propyl]hexanamide?
The IUPAC name of N-[3-(butanoylsulfamoyl)propyl]hexanamide (CID 170966234) is N-[3-(butanoylsulfamoyl)propyl]hexanamide.
What is the SMILES notation for N-[3-(butanoylsulfamoyl)propyl]hexanamide?
The canonical SMILES for N-[3-(butanoylsulfamoyl)propyl]hexanamide is CCCCCC(=O)NCCCS(=O)(=O)NC(=O)CCC.
What is the InChIKey of N-[3-(butanoylsulfamoyl)propyl]hexanamide?
The InChIKey is UXTCNQSNRCDGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-3-5-6-9-12(16)14-10-7-11-20(18,19)15-13(17)8-4-2/h3-11H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[3-(butanoylsulfamoyl)propyl]hexanamide?
N-[3-(butanoylsulfamoyl)propyl]hexanamide has a molecular weight of 306.43 g/mol, XLogP of 1.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylsulfamoyl)propyl]hexanamide is sourced from PubChem (CID 170966234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).