N-(3-acetylphenyl)thiophene-2-carboxamide

C13H11NO2S — CID 673733

IUPACN-(3-acetylphenyl)thiophene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C13H11NO2S/c1-9(15)10-4-2-5-11(8-10)14-13(16)12-6-3-7-17-12/h2-8H,1H3,(H,14,16)
InChIKeyWYHAFIMGYHKFEX-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.20
Rot. Bonds3

About N-(3-acetylphenyl)thiophene-2-carboxamide

N-(3-acetylphenyl)thiophene-2-carboxamide (PubChem CID 673733) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(3-acetylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)thiophene-2-carboxamide
PubChem CID673733
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC NameN-(3-acetylphenyl)thiophene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C13H11NO2S/c1-9(15)10-4-2-5-11(8-10)14-13(16)12-6-3-7-17-12/h2-8H,1H3,(H,14,16)
InChIKeyWYHAFIMGYHKFEX-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)thiophene-2-carboxamide (CID 673733) is N-(3-acetylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)thiophene-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-(3-acetylphenyl)thiophene-2-carboxamide?
The InChIKey is WYHAFIMGYHKFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-9(15)10-4-2-5-11(8-10)14-13(16)12-6-3-7-17-12/h2-8H,1H3,(H,14,16).
What are the key properties of N-(3-acetylphenyl)thiophene-2-carboxamide?
N-(3-acetylphenyl)thiophene-2-carboxamide has a molecular weight of 245.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 673733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).