3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide

C12H9BrN2O2S — CID 47231538

IUPAC3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2sccc2Br)cc1
InChIInChI=1S/C12H9BrN2O2S/c13-9-5-6-18-10(9)12(17)15-8-3-1-7(2-4-8)11(14)16/h1-6H,(H2,14,16)(H,15,17)
InChIKeyNBODEGHMZCKYLR-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.86
Rot. Bonds3

About 3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide

3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide (PubChem CID 47231538) has the molecular formula C12H9BrN2O2S and a molecular weight of 325.19 g/mol. Its IUPAC name is 3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
PubChem CID47231538
Molecular FormulaC12H9BrN2O2S
Molecular Weight325.19 g/mol
Exact Mass323.96
IUPAC Name3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2sccc2Br)cc1
InChIInChI=1S/C12H9BrN2O2S/c13-9-5-6-18-10(9)12(17)15-8-3-1-7(2-4-8)11(14)16/h1-6H,(H2,14,16)(H,15,17)
InChIKeyNBODEGHMZCKYLR-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 77007126
N-(4-carbamoylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63797944
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
2-bromo-5-[(3-bromothiophene-2-carbonyl)amino]benzoic acid
CID 113281061
3-bromo-N-(6-fluoro-3-pyridinyl)thiophene-2-carboxamide
CID 103789932
3-bromo-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]thiophene-2-carboxamide
CID 60967049
4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 4843233
3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
CID 61216626
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972
methyl 2-[4-[(3-bromothiophene-2-carbonyl)amino]phenoxy]acetate
CID 60789152
N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
CID 63797635
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 47220492

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide (CID 47231538) is 3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide is NC(=O)c1ccc(NC(=O)c2sccc2Br)cc1.
What is the InChIKey of 3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide?
The InChIKey is NBODEGHMZCKYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2S/c13-9-5-6-18-10(9)12(17)15-8-3-1-7(2-4-8)11(14)16/h1-6H,(H2,14,16)(H,15,17).
What are the key properties of 3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide?
3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide has a molecular weight of 325.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 47231538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).