N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide

C15H14N2O2S — CID 871259

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide
SMILESCc1sc(NC(=O)COc2ccccc2)c(C#N)c1C
InChIInChI=1S/C15H14N2O2S/c1-10-11(2)20-15(13(10)8-16)17-14(18)9-19-12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyMRQVSVXUXKJQNF-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.25
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide (PubChem CID 871259) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide
PubChem CID871259
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide
SMILESCc1sc(NC(=O)COc2ccccc2)c(C#N)c1C
InChIInChI=1S/C15H14N2O2S/c1-10-11(2)20-15(13(10)8-16)17-14(18)9-19-12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyMRQVSVXUXKJQNF-UHFFFAOYSA-N
XLogP3.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide (CID 871259) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide is Cc1sc(NC(=O)COc2ccccc2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide?
The InChIKey is MRQVSVXUXKJQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-11(2)20-15(13(10)8-16)17-14(18)9-19-12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide has a molecular weight of 286.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 871259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).