N-cyano-N-methyl-2-thiophen-2-ylacetamide

C8H8N2OS — CID 131201372

IUPACN-cyano-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C#N)C(=O)Cc1cccs1
InChIInChI=1S/C8H8N2OS/c1-10(6-9)8(11)5-7-3-2-4-12-7/h2-4H,5H2,1H3
InChIKeyAUKCHEUJHQSQRZ-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.23
Rot. Bonds2

About N-cyano-N-methyl-2-thiophen-2-ylacetamide

N-cyano-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 131201372) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is N-cyano-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyano-N-methyl-2-thiophen-2-ylacetamide
PubChem CID131201372
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC NameN-cyano-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C#N)C(=O)Cc1cccs1
InChIInChI=1S/C8H8N2OS/c1-10(6-9)8(11)5-7-3-2-4-12-7/h2-4H,5H2,1H3
InChIKeyAUKCHEUJHQSQRZ-UHFFFAOYSA-N
XLogP1.23
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 55169226
N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide
CID 94700336
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
CID 43114422
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 134049303
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
N-ethyl-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 39243285
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035
2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid
CID 60830325
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyano-N-methyl-2-thiophen-2-ylacetamide (CID 131201372) is N-cyano-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyano-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyano-N-methyl-2-thiophen-2-ylacetamide is CN(C#N)C(=O)Cc1cccs1.
What is the InChIKey of N-cyano-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is AUKCHEUJHQSQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-10(6-9)8(11)5-7-3-2-4-12-7/h2-4H,5H2,1H3.
What are the key properties of N-cyano-N-methyl-2-thiophen-2-ylacetamide?
N-cyano-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 180.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 131201372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).