5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid

C12H8BrNO3S — CID 43474934

IUPAC5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C12H8BrNO3S/c13-8-4-2-1-3-7(8)11(15)14-10-6-5-9(18-10)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyHKWSHZYBOXPITC-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.46
Rot. Bonds3

About 5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid

5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 43474934) has the molecular formula C12H8BrNO3S and a molecular weight of 326.17 g/mol. Its IUPAC name is 5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID43474934
Molecular FormulaC12H8BrNO3S
Molecular Weight326.17 g/mol
Exact Mass324.94
IUPAC Name5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C12H8BrNO3S/c13-8-4-2-1-3-7(8)11(15)14-10-6-5-9(18-10)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyHKWSHZYBOXPITC-UHFFFAOYSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(difluoromethoxy)benzoyl]amino]thiophene-2-carboxylic acid
CID 43474824
5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 55153618
5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 43474930
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197
5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43639320
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509
5-[(2-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870770
3-bromo-2-[(5-bromothiophene-2-carbonyl)amino]benzoic acid
CID 63112917
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474325

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid (CID 43474934) is 5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2ccccc2Br)s1.
What is the InChIKey of 5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is HKWSHZYBOXPITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO3S/c13-8-4-2-1-3-7(8)11(15)14-10-6-5-9(18-10)12(16)17/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid?
5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 326.17 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromobenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).