2-acetamidothiophene-3-carboxamide

C7H8N2O2S — CID 6852048

IUPAC2-acetamidothiophene-3-carboxamide
SMILESCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C7H8N2O2S/c1-4(10)9-7-5(6(8)11)2-3-12-7/h2-3H,1H3,(H2,8,11)(H,9,10)
InChIKeyGQTVFFSGTYGONS-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.81
Rot. Bonds2

About 2-acetamidothiophene-3-carboxamide

2-acetamidothiophene-3-carboxamide (PubChem CID 6852048) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-acetamidothiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamidothiophene-3-carboxamide
PubChem CID6852048
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name2-acetamidothiophene-3-carboxamide
SMILESCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C7H8N2O2S/c1-4(10)9-7-5(6(8)11)2-3-12-7/h2-3H,1H3,(H2,8,11)(H,9,10)
InChIKeyGQTVFFSGTYGONS-UHFFFAOYSA-N
XLogP0.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidothiophene-3-carboxamide?
The IUPAC name of 2-acetamidothiophene-3-carboxamide (CID 6852048) is 2-acetamidothiophene-3-carboxamide.
What is the SMILES notation for 2-acetamidothiophene-3-carboxamide?
The canonical SMILES for 2-acetamidothiophene-3-carboxamide is CC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-acetamidothiophene-3-carboxamide?
The InChIKey is GQTVFFSGTYGONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-4(10)9-7-5(6(8)11)2-3-12-7/h2-3H,1H3,(H2,8,11)(H,9,10).
What are the key properties of 2-acetamidothiophene-3-carboxamide?
2-acetamidothiophene-3-carboxamide has a molecular weight of 184.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidothiophene-3-carboxamide is sourced from PubChem (CID 6852048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).