N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide

C13H9Cl2NO2S — CID 3296993

IUPACN-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H9Cl2NO2S/c1-7(17)8-2-4-9(5-3-8)16-13(18)10-6-11(14)19-12(10)15/h2-6H,1H3,(H,16,18)
InChIKeyUXUBZXKQXUGYCB-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.51
Rot. Bonds3

About N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide

N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 3296993) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID3296993
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC NameN-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H9Cl2NO2S/c1-7(17)8-2-4-9(5-3-8)16-13(18)10-6-11(14)19-12(10)15/h2-6H,1H3,(H,16,18)
InChIKeyUXUBZXKQXUGYCB-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide (CID 3296993) is N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is UXUBZXKQXUGYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c1-7(17)8-2-4-9(5-3-8)16-13(18)10-6-11(14)19-12(10)15/h2-6H,1H3,(H,16,18).
What are the key properties of N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide?
N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 314.19 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 3296993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).