N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide

C16H16FN3O2S — CID 26387602

IUPACN-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCN(CCOc1ccccc1F)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C16H16FN3O2S/c1-20(7-8-22-14-5-3-2-4-13(14)17)11-15(21)19-16-12(10-18)6-9-23-16/h2-6,9H,7-8,11H2,1H3,(H,19,21)
InChIKeyUARGCQHYXPOACY-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.71
Rot. Bonds7

About N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide

N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide (PubChem CID 26387602) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
PubChem CID26387602
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCN(CCOc1ccccc1F)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C16H16FN3O2S/c1-20(7-8-22-14-5-3-2-4-13(14)17)11-15(21)19-16-12(10-18)6-9-23-16/h2-6,9H,7-8,11H2,1H3,(H,19,21)
InChIKeyUARGCQHYXPOACY-UHFFFAOYSA-N
XLogP2.71
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 18136161
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751
ethyl 3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011639
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442383
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 26386856
N-(3-cyanothiophen-2-yl)-3-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094910
2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
CID 61221683
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 26387450
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79652535

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide (CID 26387602) is N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide is CN(CCOc1ccccc1F)CC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The InChIKey is UARGCQHYXPOACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-20(7-8-22-14-5-3-2-4-13(14)17)11-15(21)19-16-12(10-18)6-9-23-16/h2-6,9H,7-8,11H2,1H3,(H,19,21).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide has a molecular weight of 333.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide is sourced from PubChem (CID 26387602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).