2-cyano-N-(thiophen-2-ylmethyl)acetamide

C8H8N2OS — CID 601924

IUPAC2-cyano-N-(thiophen-2-ylmethyl)acetamide
SMILESN#CCC(=O)NCc1cccs1
InChIInChI=1S/C8H8N2OS/c9-4-3-8(11)10-6-7-2-1-5-12-7/h1-2,5H,3,6H2,(H,10,11)
InChIKeyGNUSPUIOGRNHSX-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.28
Rot. Bonds3

About 2-cyano-N-(thiophen-2-ylmethyl)acetamide

2-cyano-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 601924) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-cyano-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(thiophen-2-ylmethyl)acetamide
PubChem CID601924
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2-cyano-N-(thiophen-2-ylmethyl)acetamide
SMILESN#CCC(=O)NCc1cccs1
InChIInChI=1S/C8H8N2OS/c9-4-3-8(11)10-6-7-2-1-5-12-7/h1-2,5H,3,6H2,(H,10,11)
InChIKeyGNUSPUIOGRNHSX-UHFFFAOYSA-N
XLogP1.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-cyano-N-(thiophen-2-ylmethyl)acetamide (CID 601924) is 2-cyano-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyano-N-(thiophen-2-ylmethyl)acetamide is N#CCC(=O)NCc1cccs1.
What is the InChIKey of 2-cyano-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GNUSPUIOGRNHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c9-4-3-8(11)10-6-7-2-1-5-12-7/h1-2,5H,3,6H2,(H,10,11).
What are the key properties of 2-cyano-N-(thiophen-2-ylmethyl)acetamide?
2-cyano-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 180.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 601924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).