N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide

C13H10ClNO2S — CID 84587481

IUPACN-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)c2ccsc2)c1
InChIInChI=1S/C13H10ClNO2S/c1-8(16)9-2-3-11(14)12(6-9)15-13(17)10-4-5-18-7-10/h2-7H,1H3,(H,15,17)
InChIKeyLNADTKFYLGCLSV-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.86
Rot. Bonds3

About N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide

N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide (PubChem CID 84587481) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide
PubChem CID84587481
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC NameN-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)c2ccsc2)c1
InChIInChI=1S/C13H10ClNO2S/c1-8(16)9-2-3-11(14)12(6-9)15-13(17)10-4-5-18-7-10/h2-7H,1H3,(H,15,17)
InChIKeyLNADTKFYLGCLSV-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide
CID 71969037
N-(2-chloro-4-fluorophenyl)thiophene-3-carboxamide
CID 30273412
N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 17401848
N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide
CID 108808709
N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
CID 82862106
N-(5-acetyl-2-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
CID 99828836
N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 71969035
N-(5-acetyl-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 71917356
N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide
CID 39170420
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide (CID 84587481) is N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide is CC(=O)c1ccc(Cl)c(NC(=O)c2ccsc2)c1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide?
The InChIKey is LNADTKFYLGCLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c1-8(16)9-2-3-11(14)12(6-9)15-13(17)10-4-5-18-7-10/h2-7H,1H3,(H,15,17).
What are the key properties of N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide?
N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide has a molecular weight of 279.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 84587481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).