N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide

C14H12N2O2S — CID 43369161

IUPACN-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESN#CCOc1cccc(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C14H12N2O2S/c15-6-7-18-12-4-1-3-11(9-12)16-14(17)10-13-5-2-8-19-13/h1-5,8-9H,7,10H2,(H,16,17)
InChIKeyJHGHAQGKIXIYOQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.83
Rot. Bonds5

About N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide

N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 43369161) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide
PubChem CID43369161
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESN#CCOc1cccc(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C14H12N2O2S/c15-6-7-18-12-4-1-3-11(9-12)16-14(17)10-13-5-2-8-19-13/h1-5,8-9H,7,10H2,(H,16,17)
InChIKeyJHGHAQGKIXIYOQ-UHFFFAOYSA-N
XLogP2.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 28754992
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432
7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide
CID 43708790
N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide
CID 55091253
N-[3-(methoxymethyl)phenyl]-2-thiophen-2-ylacetamide
CID 33287828
N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285957
2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
CID 61058454
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide (CID 43369161) is N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide is N#CCOc1cccc(NC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is JHGHAQGKIXIYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-6-7-18-12-4-1-3-11(9-12)16-14(17)10-13-5-2-8-19-13/h1-5,8-9H,7,10H2,(H,16,17).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide?
N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 272.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 43369161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).