3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid

C13H10BrNO3S — CID 65306036

IUPAC3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid
SMILESCc1ccc(Br)cc1C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H10BrNO3S/c1-7-2-3-8(14)6-9(7)12(16)15-10-4-5-19-11(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyYAZYXTSNBSOJKR-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.77
Rot. Bonds3

About 3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid

3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 65306036) has the molecular formula C13H10BrNO3S and a molecular weight of 340.20 g/mol. Its IUPAC name is 3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID65306036
Molecular FormulaC13H10BrNO3S
Molecular Weight340.20 g/mol
Exact Mass338.96
IUPAC Name3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid
SMILESCc1ccc(Br)cc1C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H10BrNO3S/c1-7-2-3-8(14)6-9(7)12(16)15-10-4-5-19-11(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyYAZYXTSNBSOJKR-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

3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
2-[(5-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 65307924
3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 114024343
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 65307966
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
3-[(3-bromobenzoyl)amino]thiophene-2-carboxylic acid
CID 24700700
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 55083070
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid (CID 65306036) is 3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid is Cc1ccc(Br)cc1C(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is YAZYXTSNBSOJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3S/c1-7-2-3-8(14)6-9(7)12(16)15-10-4-5-19-11(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid?
3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic 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 3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 65306036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).