2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide

C13H22N2O3S — CID 63246620

IUPAC2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
SMILESCCNCc1ccccc1NS(=O)(=O)CCOCC
InChIInChI=1S/C13H22N2O3S/c1-3-14-11-12-7-5-6-8-13(12)15-19(16,17)10-9-18-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeySZBDQGYAXXCLQF-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.57
Rot. Bonds9

About 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide

2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide (PubChem CID 63246620) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
PubChem CID63246620
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
SMILESCCNCc1ccccc1NS(=O)(=O)CCOCC
InChIInChI=1S/C13H22N2O3S/c1-3-14-11-12-7-5-6-8-13(12)15-19(16,17)10-9-18-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeySZBDQGYAXXCLQF-UHFFFAOYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide 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-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594398
N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide
CID 43606467
2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
CID 64792935
2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
CID 63245696
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
CID 54972159
2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
CID 119353239
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine
CID 106721979
N-[2-(ethylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606461

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide (CID 63246620) is 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide is CCNCc1ccccc1NS(=O)(=O)CCOCC.
What is the InChIKey of 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide?
The InChIKey is SZBDQGYAXXCLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-14-11-12-7-5-6-8-13(12)15-19(16,17)10-9-18-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide?
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 63246620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).