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

C15H13FN2O2S — CID 2388565

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide
SMILESCc1sc(NC(=O)COc2cccc(F)c2)c(C#N)c1C
InChIInChI=1S/C15H13FN2O2S/c1-9-10(2)21-15(13(9)7-17)18-14(19)8-20-12-5-3-4-11(16)6-12/h3-6H,8H2,1-2H3,(H,18,19)
InChIKeyMCQQQZAZHLMSIZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.39
Rot. Bonds4

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide (PubChem CID 2388565) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide
PubChem CID2388565
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide
SMILESCc1sc(NC(=O)COc2cccc(F)c2)c(C#N)c1C
InChIInChI=1S/C15H13FN2O2S/c1-9-10(2)21-15(13(9)7-17)18-14(19)8-20-12-5-3-4-11(16)6-12/h3-6H,8H2,1-2H3,(H,18,19)
InChIKeyMCQQQZAZHLMSIZ-UHFFFAOYSA-N
XLogP3.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.39
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-(3-fluorophenoxy)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide (CID 2388565) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide is Cc1sc(NC(=O)COc2cccc(F)c2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide?
The InChIKey is MCQQQZAZHLMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-9-10(2)21-15(13(9)7-17)18-14(19)8-20-12-5-3-4-11(16)6-12/h3-6H,8H2,1-2H3,(H,18,19).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-fluorophenoxy)acetamide has a molecular weight of 304.35 g/mol, XLogP of 3.39, 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-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 2388565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).