2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide

C14H24N2O3S — CID 63245696

IUPAC2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
SMILESCCNC(C)c1ccccc1NS(=O)(=O)CCOCC
InChIInChI=1S/C14H24N2O3S/c1-4-15-12(3)13-8-6-7-9-14(13)16-20(17,18)11-10-19-5-2/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyAODSELAYPBKHBX-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.14
Rot. Bonds9

About 2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide

2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide (PubChem CID 63245696) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
PubChem CID63245696
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
SMILESCCNC(C)c1ccccc1NS(=O)(=O)CCOCC
InChIInChI=1S/C14H24N2O3S/c1-4-15-12(3)13-8-6-7-9-14(13)16-20(17,18)11-10-19-5-2/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyAODSELAYPBKHBX-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.14
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-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
CID 43508200
N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
CID 63856595
N-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
CID 60858301
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
CID 114463183
2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
CID 64792935
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490
4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide
CID 106057914
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 63245607
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide (CID 63245696) is 2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide is CCNC(C)c1ccccc1NS(=O)(=O)CCOCC.
What is the InChIKey of 2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide?
The InChIKey is AODSELAYPBKHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-15-12(3)13-8-6-7-9-14(13)16-20(17,18)11-10-19-5-2/h6-9,12,15-16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide?
2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.14, 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-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 63245696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).