5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide

C13H9Cl2NO2S — CID 9071635

IUPAC5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C13H9Cl2NO2S/c1-7(17)11-4-5-12(19-11)13(18)16-8-2-3-9(14)10(15)6-8/h2-6H,1H3,(H,16,18)
InChIKeyBHAHMDYJQWCONA-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.51
Rot. Bonds3

About 5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide

5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide (PubChem CID 9071635) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is 5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
PubChem CID9071635
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC Name5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C13H9Cl2NO2S/c1-7(17)11-4-5-12(19-11)13(18)16-8-2-3-9(14)10(15)6-8/h2-6H,1H3,(H,16,18)
InChIKeyBHAHMDYJQWCONA-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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Related Compounds

5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 18089373
N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
CID 18089390
5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide
CID 58614931
5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9091886
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
CID 131938402
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 107622764
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
CID 9072643
N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61077065
5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 9088020

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide (CID 9071635) is 5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide?
The InChIKey is BHAHMDYJQWCONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c1-7(17)11-4-5-12(19-11)13(18)16-8-2-3-9(14)10(15)6-8/h2-6H,1H3,(H,16,18).
What are the key properties of 5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide?
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-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 5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9071635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).