2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

C14H16N2O3S — CID 106434312

IUPAC2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESNc1ccc(OCC(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C14H16N2O3S/c15-11-1-3-12(4-2-11)19-8-14(18)16-7-13(17)10-5-6-20-9-10/h1-6,9,13,17H,7-8,15H2,(H,16,18)
InChIKeyNPYPGZXZHBQWJT-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.56
Rot. Bonds6

About 2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (PubChem CID 106434312) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
PubChem CID106434312
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESNc1ccc(OCC(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C14H16N2O3S/c15-11-1-3-12(4-2-11)19-8-14(18)16-7-13(17)10-5-6-20-9-10/h1-6,9,13,17H,7-8,15H2,(H,16,18)
InChIKeyNPYPGZXZHBQWJT-UHFFFAOYSA-N
XLogP1.56
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434358
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 16931216
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide
CID 121132146
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 16931215
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 71782438
2-(4-aminophenoxy)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 61471803

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (CID 106434312) is 2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is Nc1ccc(OCC(=O)NCC(O)c2ccsc2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The InChIKey is NPYPGZXZHBQWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c15-11-1-3-12(4-2-11)19-8-14(18)16-7-13(17)10-5-6-20-9-10/h1-6,9,13,17H,7-8,15H2,(H,16,18).
What are the key properties of 2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 106434312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).