3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide

C13H14N2O2S — CID 66351848

IUPAC3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
SMILESNc1cccc(OCCC(=O)Nc2ccsc2)c1
InChIInChI=1S/C13H14N2O2S/c14-10-2-1-3-12(8-10)17-6-4-13(16)15-11-5-7-18-9-11/h1-3,5,7-9H,4,6,14H2,(H,15,16)
InChIKeyONZRHMQYZJZANY-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.74
Rot. Bonds5

About 3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide

3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide (PubChem CID 66351848) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
PubChem CID66351848
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
SMILESNc1cccc(OCCC(=O)Nc2ccsc2)c1
InChIInChI=1S/C13H14N2O2S/c14-10-2-1-3-12(8-10)17-6-4-13(16)15-11-5-7-18-9-11/h1-3,5,7-9H,4,6,14H2,(H,15,16)
InChIKeyONZRHMQYZJZANY-UHFFFAOYSA-N
XLogP2.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.74
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

3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide
CID 71863349
3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide
CID 107584422
3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 61092948
3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
CID 61095310
3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 61464165
3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 61095535
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide
CID 61464065
3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide
CID 107624112
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide (CID 66351848) is 3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide is Nc1cccc(OCCC(=O)Nc2ccsc2)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide?
The InChIKey is ONZRHMQYZJZANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-10-2-1-3-12(8-10)17-6-4-13(16)15-11-5-7-18-9-11/h1-3,5,7-9H,4,6,14H2,(H,15,16).
What are the key properties of 3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide?
3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide has a molecular weight of 262.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide is sourced from PubChem (CID 66351848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).