2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide

C15H26N2O3S — CID 65039767

IUPAC2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)CCOc1ccccc1N
InChIInChI=1S/C15H26N2O3S/c1-4-15(5-2,6-3)17-21(18,19)12-11-20-14-10-8-7-9-13(14)16/h7-10,17H,4-6,11-12,16H2,1-3H3
InChIKeyGCUJAEUOYYLGQI-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.54
Rot. Bonds9

About 2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide

2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide (PubChem CID 65039767) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
PubChem CID65039767
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)CCOc1ccccc1N
InChIInChI=1S/C15H26N2O3S/c1-4-15(5-2,6-3)17-21(18,19)12-11-20-14-10-8-7-9-13(14)16/h7-10,17H,4-6,11-12,16H2,1-3H3
InChIKeyGCUJAEUOYYLGQI-UHFFFAOYSA-N
XLogP2.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039925
2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide
CID 83012594
2-(3-butylsulfonylpropoxy)aniline
CID 43615873
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601
2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 106152843
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62524628
2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide
CID 80725543
N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82840011
2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
CID 65482643
ethyl 2-[2-(2-aminophenoxy)ethylsulfonyl]acetate
CID 43618414

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide (CID 65039767) is 2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide is CCC(CC)(CC)NS(=O)(=O)CCOc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide?
The InChIKey is GCUJAEUOYYLGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-15(5-2,6-3)17-21(18,19)12-11-20-14-10-8-7-9-13(14)16/h7-10,17H,4-6,11-12,16H2,1-3H3.
What are the key properties of 2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide?
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide is sourced from PubChem (CID 65039767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).