2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

C16H16N2O3S — CID 111441293

IUPAC2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H16N2O3S/c1-11(21-14-4-2-3-12(7-14)8-17)16(20)18-9-15(19)13-5-6-22-10-13/h2-7,10-11,15,19H,9H2,1H3,(H,18,20)
InChIKeyCVYHQEZOWKKTSC-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.24
Rot. Bonds6

About 2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (PubChem CID 111441293) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
PubChem CID111441293
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H16N2O3S/c1-11(21-14-4-2-3-12(7-14)8-17)16(20)18-9-15(19)13-5-6-22-10-13/h2-7,10-11,15,19H,9H2,1H3,(H,18,20)
InChIKeyCVYHQEZOWKKTSC-UHFFFAOYSA-N
XLogP2.24
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-cyanophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440911
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 111441401
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 111441578
(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 7964302
2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide
CID 111334999
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 4819958
(E)-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912016
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (CID 111441293) is 2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is CC(Oc1cccc(C#N)c1)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The InChIKey is CVYHQEZOWKKTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11(21-14-4-2-3-12(7-14)8-17)16(20)18-9-15(19)13-5-6-22-10-13/h2-7,10-11,15,19H,9H2,1H3,(H,18,20).
What are the key properties of 2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide has a molecular weight of 316.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 111441293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).