5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide

C13H11BrN2O2S — CID 17435618

IUPAC5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C13H11BrN2O2S/c1-8(17)15-12-7-6-11(19-12)13(18)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyUUIZCNWZQBIYNI-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.72
Rot. Bonds3

About 5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide

5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide (PubChem CID 17435618) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide
PubChem CID17435618
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC Name5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C13H11BrN2O2S/c1-8(17)15-12-7-6-11(19-12)13(18)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyUUIZCNWZQBIYNI-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 17488532
2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
CID 165118178
4-[(5-acetamidothiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 63650927
5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide
CID 24575094
5-acetamido-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 24608441
5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 24606547
5-acetamido-N-(4-ethyl-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 112698644
3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914937
5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 79252074
5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 115770902
5-acetamido-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
CID 55081960

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide (CID 17435618) is 5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)s1.
What is the InChIKey of 5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide?
The InChIKey is UUIZCNWZQBIYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-8(17)15-12-7-6-11(19-12)13(18)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide?
5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide has a molecular weight of 339.21 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 17435618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).