2-acetylthieno[2,3-b]thiophene-5-carboxamide

C9H7NO2S2 — CID 133056845

IUPAC2-acetylthieno[2,3-b]thiophene-5-carboxamide
SMILESCC(=O)c1cc2cc(C(N)=O)sc2s1
InChIInChI=1S/C9H7NO2S2/c1-4(11)6-2-5-3-7(8(10)12)14-9(5)13-6/h2-3H,1H3,(H2,10,12)
InChIKeyQKPQXXOWCOUBHI-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.26
Rot. Bonds2

About 2-acetylthieno[2,3-b]thiophene-5-carboxamide

2-acetylthieno[2,3-b]thiophene-5-carboxamide (PubChem CID 133056845) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-acetylthieno[2,3-b]thiophene-5-carboxamide.

Molecular Properties

Compound Name2-acetylthieno[2,3-b]thiophene-5-carboxamide
PubChem CID133056845
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name2-acetylthieno[2,3-b]thiophene-5-carboxamide
SMILESCC(=O)c1cc2cc(C(N)=O)sc2s1
InChIInChI=1S/C9H7NO2S2/c1-4(11)6-2-5-3-7(8(10)12)14-9(5)13-6/h2-3H,1H3,(H2,10,12)
InChIKeyQKPQXXOWCOUBHI-UHFFFAOYSA-N
XLogP2.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetylthieno[2,3-b]thiophene-5-carboxamide?
The IUPAC name of 2-acetylthieno[2,3-b]thiophene-5-carboxamide (CID 133056845) is 2-acetylthieno[2,3-b]thiophene-5-carboxamide.
What is the SMILES notation for 2-acetylthieno[2,3-b]thiophene-5-carboxamide?
The canonical SMILES for 2-acetylthieno[2,3-b]thiophene-5-carboxamide is CC(=O)c1cc2cc(C(N)=O)sc2s1.
What is the InChIKey of 2-acetylthieno[2,3-b]thiophene-5-carboxamide?
The InChIKey is QKPQXXOWCOUBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-4(11)6-2-5-3-7(8(10)12)14-9(5)13-6/h2-3H,1H3,(H2,10,12).
What are the key properties of 2-acetylthieno[2,3-b]thiophene-5-carboxamide?
2-acetylthieno[2,3-b]thiophene-5-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylthieno[2,3-b]thiophene-5-carboxamide is sourced from PubChem (CID 133056845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).