N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide

C12H16N2O2S — CID 55169226

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
SMILESCOCCN(CCC#N)C(=O)Cc1cccs1
InChIInChI=1S/C12H16N2O2S/c1-16-8-7-14(6-3-5-13)12(15)10-11-4-2-9-17-11/h2,4,9H,3,6-8,10H2,1H3
InChIKeyIPKATMMCCQTZFM-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.68
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide (PubChem CID 55169226) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
PubChem CID55169226
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
SMILESCOCCN(CCC#N)C(=O)Cc1cccs1
InChIInChI=1S/C12H16N2O2S/c1-16-8-7-14(6-3-5-13)12(15)10-11-4-2-9-17-11/h2,4,9H,3,6-8,10H2,1H3
InChIKeyIPKATMMCCQTZFM-UHFFFAOYSA-N
XLogP1.68
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyano-N-methyl-2-thiophen-2-ylacetamide
CID 131201372
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63237562
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 63237168
[3-[[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] ethanesulfonate
CID 4147000
N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 63797540
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 63799883
N-ethyl-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 39243285
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide (CID 55169226) is N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide is COCCN(CCC#N)C(=O)Cc1cccs1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide?
The InChIKey is IPKATMMCCQTZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-16-8-7-14(6-3-5-13)12(15)10-11-4-2-9-17-11/h2,4,9H,3,6-8,10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide has a molecular weight of 252.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 55169226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).