2-(2-methylpropanoylamino)thiophene-3-carboxamide

C9H12N2O2S — CID 7167015

IUPAC2-(2-methylpropanoylamino)thiophene-3-carboxamide
SMILESCC(C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C9H12N2O2S/c1-5(2)8(13)11-9-6(7(10)12)3-4-14-9/h3-5H,1-2H3,(H2,10,12)(H,11,13)
InChIKeyOWXKBTVZFFLULH-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.44
Rot. Bonds3

About 2-(2-methylpropanoylamino)thiophene-3-carboxamide

2-(2-methylpropanoylamino)thiophene-3-carboxamide (PubChem CID 7167015) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)thiophene-3-carboxamide
PubChem CID7167015
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(2-methylpropanoylamino)thiophene-3-carboxamide
SMILESCC(C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C9H12N2O2S/c1-5(2)8(13)11-9-6(7(10)12)3-4-14-9/h3-5H,1-2H3,(H2,10,12)(H,11,13)
InChIKeyOWXKBTVZFFLULH-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(2-methylpropanoylamino)thiophene-3-carboxamide (CID 7167015) is 2-(2-methylpropanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(2-methylpropanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(2-methylpropanoylamino)thiophene-3-carboxamide is CC(C)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-(2-methylpropanoylamino)thiophene-3-carboxamide?
The InChIKey is OWXKBTVZFFLULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-5(2)8(13)11-9-6(7(10)12)3-4-14-9/h3-5H,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 2-(2-methylpropanoylamino)thiophene-3-carboxamide?
2-(2-methylpropanoylamino)thiophene-3-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 7167015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).