N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide

C13H22N2O3S — CID 83039199

IUPACN-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
SMILESCOCCNCCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-18-11-10-14-8-9-15-19(16,17)12-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyFJAYMGHTRTWQEO-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.38
Rot. Bonds10

About N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide

N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide (PubChem CID 83039199) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
PubChem CID83039199
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
SMILESCOCCNCCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-18-11-10-14-8-9-15-19(16,17)12-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyFJAYMGHTRTWQEO-UHFFFAOYSA-N
XLogP0.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.38
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-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride
CID 120717380
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717949
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 120717566
2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
CID 120717495
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide;hydrochloride
CID 120717565
2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide
CID 113101297
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
N-(2-methoxyethyl)-2-(4-phenylphenyl)ethanamine
CID 64866230

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide (CID 83039199) is N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide is COCCNCCNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide?
The InChIKey is FJAYMGHTRTWQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-18-11-10-14-8-9-15-19(16,17)12-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide?
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 83039199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).