5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide

C13H12N2O2S — CID 67120608

IUPAC5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide
SMILESCC(=O)c1ccc(-c2cc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C13H12N2O2S/c1-7(16)8-2-4-9(5-3-8)11-6-10(12(14)17)13(15)18-11/h2-6H,15H2,1H3,(H2,14,17)
InChIKeyQWVHUOCSDVPMKP-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.30
Rot. Bonds3

About 5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide

5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide (PubChem CID 67120608) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide
PubChem CID67120608
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide
SMILESCC(=O)c1ccc(-c2cc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C13H12N2O2S/c1-7(16)8-2-4-9(5-3-8)11-6-10(12(14)17)13(15)18-11/h2-6H,15H2,1H3,(H2,14,17)
InChIKeyQWVHUOCSDVPMKP-UHFFFAOYSA-N
XLogP2.30
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide (CID 67120608) is 5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide is CC(=O)c1ccc(-c2cc(C(N)=O)c(N)s2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide?
The InChIKey is QWVHUOCSDVPMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-7(16)8-2-4-9(5-3-8)11-6-10(12(14)17)13(15)18-11/h2-6H,15H2,1H3,(H2,14,17).
What are the key properties of 5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide?
5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-2-aminothiophene-3-carboxamide is sourced from PubChem (CID 67120608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).