N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide

C16H33BrN2O3S — CID 134997360

IUPACN-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(Br)S(=O)(=O)N(CC)CC
InChIInChI=1S/C16H33BrN2O3S/c1-4-7-8-9-10-11-12-13-16(20)18-14-15(17)23(21,22)19(5-2)6-3/h15H,4-14H2,1-3H3,(H,18,20)
InChIKeySNXDTLBTXIVZRA-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.64
Rot. Bonds14

About N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide

N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide (PubChem CID 134997360) has the molecular formula C16H33BrN2O3S and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide.

Molecular Properties

Compound NameN-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide
PubChem CID134997360
Molecular FormulaC16H33BrN2O3S
Molecular Weight413.42 g/mol
Exact Mass412.14
IUPAC NameN-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(Br)S(=O)(=O)N(CC)CC
InChIInChI=1S/C16H33BrN2O3S/c1-4-7-8-9-10-11-12-13-16(20)18-14-15(17)23(21,22)19(5-2)6-3/h15H,4-14H2,1-3H3,(H,18,20)
InChIKeySNXDTLBTXIVZRA-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-ethylpentyl)decanamide
CID 106288042
N-(2-bromo-3-ethylpentyl)hexanamide
CID 106287879
N-(2-aminopropyl)octadecanamide
CID 86003506
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-bromo-2-cyclopropylethyl)dodecanamide
CID 114315926
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
N-(2-amino-4-hydroxybutyl)dodecanamide
CID 54436170
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
N-ethylhexadecanamide
CID 18377756
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide?
The IUPAC name of N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide (CID 134997360) is N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide.
What is the SMILES notation for N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide?
The canonical SMILES for N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide is CCCCCCCCCC(=O)NCC(Br)S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide?
The InChIKey is SNXDTLBTXIVZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33BrN2O3S/c1-4-7-8-9-10-11-12-13-16(20)18-14-15(17)23(21,22)19(5-2)6-3/h15H,4-14H2,1-3H3,(H,18,20).
What are the key properties of N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide?
N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide has a molecular weight of 413.42 g/mol, XLogP of 3.64, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide is sourced from PubChem (CID 134997360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).