2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide

C11H16N2O2S — CID 138743151

IUPAC2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)NC(C)(C)C)s1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)13-10(15)8-6-5-7(16-8)9(14)12-4/h5-6H,1-4H3,(H,12,14)(H,13,15)
InChIKeyWGQTZKIFADUTFD-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.64
Rot. Bonds2

About 2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide

2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide (PubChem CID 138743151) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide
PubChem CID138743151
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)NC(C)(C)C)s1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)13-10(15)8-6-5-7(16-8)9(14)12-4/h5-6H,1-4H3,(H,12,14)(H,13,15)
InChIKeyWGQTZKIFADUTFD-UHFFFAOYSA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide (CID 138743151) is 2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide is CNC(=O)c1ccc(C(=O)NC(C)(C)C)s1.
What is the InChIKey of 2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide?
The InChIKey is WGQTZKIFADUTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,3)13-10(15)8-6-5-7(16-8)9(14)12-4/h5-6H,1-4H3,(H,12,14)(H,13,15).
What are the key properties of 2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide?
2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-5-N-methylthiophene-2,5-dicarboxamide is sourced from PubChem (CID 138743151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).