N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide

C14H23NO4S — CID 110410492

IUPACN-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)CCOCCOC
InChIInChI=1S/C14H23NO4S/c1-3-15(13-14-7-5-4-6-8-14)20(16,17)12-11-19-10-9-18-2/h4-8H,3,9-13H2,1-2H3
InChIKeySAWTYPJTVIWQJF-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.50
Rot. Bonds10

About N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide

N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide (PubChem CID 110410492) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide
PubChem CID110410492
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)CCOCCOC
InChIInChI=1S/C14H23NO4S/c1-3-15(13-14-7-5-4-6-8-14)20(16,17)12-11-19-10-9-18-2/h4-8H,3,9-13H2,1-2H3
InChIKeySAWTYPJTVIWQJF-UHFFFAOYSA-N
XLogP1.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide
CID 55009541
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
CID 120584154
N,N-dibenzylpropane-1-sulfonamide
CID 60642874
N-benzyl-2-methoxy-N-phenylethanesulfonamide
CID 110300125
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide
CID 7618507
N-[(2-aminophenyl)methyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290024
N-benzyl-3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide
CID 146353301
3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide?
The IUPAC name of N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide (CID 110410492) is N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)CCOCCOC.
What is the InChIKey of N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide?
The InChIKey is SAWTYPJTVIWQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-3-15(13-14-7-5-4-6-8-14)20(16,17)12-11-19-10-9-18-2/h4-8H,3,9-13H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide?
N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide is sourced from PubChem (CID 110410492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).