2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid

C13H10BrNO3S — CID 113281020

IUPAC2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1ccsc1C(=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C13H10BrNO3S/c1-7-4-5-19-11(7)12(16)15-8-2-3-10(14)9(6-8)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyLAPOZPLPBWBUDY-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.77
Rot. Bonds3

About 2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid

2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid (PubChem CID 113281020) has the molecular formula C13H10BrNO3S and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
PubChem CID113281020
Molecular FormulaC13H10BrNO3S
Molecular Weight340.20 g/mol
Exact Mass338.96
IUPAC Name2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1ccsc1C(=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C13H10BrNO3S/c1-7-4-5-19-11(7)12(16)15-8-2-3-10(14)9(6-8)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyLAPOZPLPBWBUDY-UHFFFAOYSA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[(3-bromothiophene-2-carbonyl)amino]benzoic acid
CID 113281061
5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 63802750
2-bromo-5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 115295780
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
2-bromo-5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 115295672
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104938713
2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 113281025
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
2-bromo-5-(dimethylcarbamoylamino)benzoic acid
CID 115295927

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid (CID 113281020) is 2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid is Cc1ccsc1C(=O)Nc1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is LAPOZPLPBWBUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3S/c1-7-4-5-19-11(7)12(16)15-8-2-3-10(14)9(6-8)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 340.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 113281020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).