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

C10H12N2OS — CID 61437413

IUPAC2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)CC#N
InChIInChI=1S/C10H12N2OS/c1-2-12(10(13)5-6-11)8-9-4-3-7-14-9/h3-4,7H,2,5,8H2,1H3
InChIKeyIPHPNGSWFUEHEZ-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.01
Rot. Bonds4

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

2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 61437413) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID61437413
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)CC#N
InChIInChI=1S/C10H12N2OS/c1-2-12(10(13)5-6-11)8-9-4-3-7-14-9/h3-4,7H,2,5,8H2,1H3
InChIKeyIPHPNGSWFUEHEZ-UHFFFAOYSA-N
XLogP2.01
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-benzyl-2-cyano-N-ethylacetamide
CID 28983811
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
CID 104502284
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18163378

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide (CID 61437413) is 2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IPHPNGSWFUEHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-2-12(10(13)5-6-11)8-9-4-3-7-14-9/h3-4,7H,2,5,8H2,1H3.
What are the key properties of 2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 208.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 61437413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).