2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide

C13H22N2O3S — CID 63245607

IUPAC2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1cccc(C(C)NC)c1
InChIInChI=1S/C13H22N2O3S/c1-4-18-8-9-19(16,17)15-13-7-5-6-12(10-13)11(2)14-3/h5-7,10-11,14-15H,4,8-9H2,1-3H3
InChIKeyNNNJPLHFEMFETH-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.75
Rot. Bonds8

About 2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide

2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide (PubChem CID 63245607) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
PubChem CID63245607
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1cccc(C(C)NC)c1
InChIInChI=1S/C13H22N2O3S/c1-4-18-8-9-19(16,17)15-13-7-5-6-12(10-13)11(2)14-3/h5-7,10-11,14-15H,4,8-9H2,1-3H3
InChIKeyNNNJPLHFEMFETH-UHFFFAOYSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.75
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

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CID 43508144
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CID 43507750
1-(2-ethoxyethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 81062754
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
CID 63245735
N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
CID 64787721
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
CID 63245696
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
CID 76988854
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide
CID 168924991

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide (CID 63245607) is 2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide is CCOCCS(=O)(=O)Nc1cccc(C(C)NC)c1.
What is the InChIKey of 2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide?
The InChIKey is NNNJPLHFEMFETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-18-8-9-19(16,17)15-13-7-5-6-12(10-13)11(2)14-3/h5-7,10-11,14-15H,4,8-9H2,1-3H3.
What are the key properties of 2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide?
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 63245607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).