2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide

C12H16N4O4S — CID 106392325

IUPAC2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
SMILESNc1ccccc1OCCS(=O)(=O)NCCc1ncno1
InChIInChI=1S/C12H16N4O4S/c13-10-3-1-2-4-11(10)19-7-8-21(17,18)16-6-5-12-14-9-15-20-12/h1-4,9,16H,5-8,13H2
InChIKeyRACACTAOQOEHFR-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.19
Rot. Bonds8

About 2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide

2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide (PubChem CID 106392325) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
PubChem CID106392325
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
SMILESNc1ccccc1OCCS(=O)(=O)NCCc1ncno1
InChIInChI=1S/C12H16N4O4S/c13-10-3-1-2-4-11(10)19-7-8-21(17,18)16-6-5-12-14-9-15-20-12/h1-4,9,16H,5-8,13H2
InChIKeyRACACTAOQOEHFR-UHFFFAOYSA-N
XLogP0.19
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106395892
2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
CID 65230784
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide
CID 114185436
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114184201
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039767
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399915
2-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 106401561
2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide
CID 106894709
6-amino-2,3-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392251
1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide
CID 106410575

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide (CID 106392325) is 2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide is Nc1ccccc1OCCS(=O)(=O)NCCc1ncno1.
What is the InChIKey of 2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is RACACTAOQOEHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c13-10-3-1-2-4-11(10)19-7-8-21(17,18)16-6-5-12-14-9-15-20-12/h1-4,9,16H,5-8,13H2.
What are the key properties of 2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide?
2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 312.35 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 106392325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).