N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide

C15H14N2OS — CID 94280290

IUPACN-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide
SMILESCC(=O)Nc1c(C#N)sc(C)c1-c1ccccc1C
InChIInChI=1S/C15H14N2OS/c1-9-6-4-5-7-12(9)14-10(2)19-13(8-16)15(14)17-11(3)18/h4-7H,1-3H3,(H,17,18)
InChIKeySTFBZWAXTQSQCS-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.86
Rot. Bonds2

About N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide

N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide (PubChem CID 94280290) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide
PubChem CID94280290
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide
SMILESCC(=O)Nc1c(C#N)sc(C)c1-c1ccccc1C
InChIInChI=1S/C15H14N2OS/c1-9-6-4-5-7-12(9)14-10(2)19-13(8-16)15(14)17-11(3)18/h4-7H,1-3H3,(H,17,18)
InChIKeySTFBZWAXTQSQCS-UHFFFAOYSA-N
XLogP3.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide?
The IUPAC name of N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide (CID 94280290) is N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide is CC(=O)Nc1c(C#N)sc(C)c1-c1ccccc1C.
What is the InChIKey of N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide?
The InChIKey is STFBZWAXTQSQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-6-4-5-7-12(9)14-10(2)19-13(8-16)15(14)17-11(3)18/h4-7H,1-3H3,(H,17,18).
What are the key properties of N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide?
N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide has a molecular weight of 270.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-5-methyl-4-(2-methylphenyl)thiophen-3-yl]acetamide is sourced from PubChem (CID 94280290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).