N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide

C13H9FN2O2S — CID 9415681

IUPACN-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide
SMILESN#Cc1ccsc1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2S/c14-10-1-3-11(4-2-10)18-8-12(17)16-13-9(7-15)5-6-19-13/h1-6H,8H2,(H,16,17)
InChIKeyNKBLAAMEXSZTEZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.78
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide

N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 9415681) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID9415681
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide
SMILESN#Cc1ccsc1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2S/c14-10-1-3-11(4-2-10)18-8-12(17)16-13-9(7-15)5-6-19-13/h1-6H,8H2,(H,16,17)
InChIKeyNKBLAAMEXSZTEZ-UHFFFAOYSA-N
XLogP2.78
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8552867
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552471
N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605028
N-cyano-2-(4-fluorophenoxy)acetamide
CID 79194261
N-(3-cyanothiophen-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide
CID 18586001
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935981
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935994
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 3912539
(E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 8915005
2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide
CID 2117847
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate
CID 25429655
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
CID 8638782

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide (CID 9415681) is N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide is N#Cc1ccsc1NC(=O)COc1ccc(F)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is NKBLAAMEXSZTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c14-10-1-3-11(4-2-10)18-8-12(17)16-13-9(7-15)5-6-19-13/h1-6H,8H2,(H,16,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide?
N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 276.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 9415681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).