2-(propanoylamino)thiophene-3-carboxamide

C8H10N2O2S — CID 7164098

IUPAC2-(propanoylamino)thiophene-3-carboxamide
SMILESCCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C8H10N2O2S/c1-2-6(11)10-8-5(7(9)12)3-4-13-8/h3-4H,2H2,1H3,(H2,9,12)(H,10,11)
InChIKeyGCOXWBDTAXMOMI-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.20
Rot. Bonds3

About 2-(propanoylamino)thiophene-3-carboxamide

2-(propanoylamino)thiophene-3-carboxamide (PubChem CID 7164098) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(propanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(propanoylamino)thiophene-3-carboxamide
PubChem CID7164098
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-(propanoylamino)thiophene-3-carboxamide
SMILESCCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C8H10N2O2S/c1-2-6(11)10-8-5(7(9)12)3-4-13-8/h3-4H,2H2,1H3,(H2,9,12)(H,10,11)
InChIKeyGCOXWBDTAXMOMI-UHFFFAOYSA-N
XLogP1.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(propanoylamino)thiophene-3-carboxamide (CID 7164098) is 2-(propanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(propanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(propanoylamino)thiophene-3-carboxamide is CCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-(propanoylamino)thiophene-3-carboxamide?
The InChIKey is GCOXWBDTAXMOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-2-6(11)10-8-5(7(9)12)3-4-13-8/h3-4H,2H2,1H3,(H2,9,12)(H,10,11).
What are the key properties of 2-(propanoylamino)thiophene-3-carboxamide?
2-(propanoylamino)thiophene-3-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 7164098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).