2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid

C13H9Br2NO3S — CID 107971632

IUPAC2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H9Br2NO3S/c14-8-4-7(5-9(15)6-8)12(17)16-11(13(18)19)10-2-1-3-20-10/h1-6,11H,(H,16,17)(H,18,19)
InChIKeyQKGBDAVPBHFHQU-UHFFFAOYSA-N
MW419.09 g/mol
LogP3.83
Rot. Bonds4

About 2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid

2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 107971632) has the molecular formula C13H9Br2NO3S and a molecular weight of 419.09 g/mol. Its IUPAC name is 2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID107971632
Molecular FormulaC13H9Br2NO3S
Molecular Weight419.09 g/mol
Exact Mass416.87
IUPAC Name2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H9Br2NO3S/c14-8-4-7(5-9(15)6-8)12(17)16-11(13(18)19)10-2-1-3-20-10/h1-6,11H,(H,16,17)(H,18,19)
InChIKeyQKGBDAVPBHFHQU-UHFFFAOYSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.09
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107949412
2-[(3-bromo-4-chlorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107998044
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283800
2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid
CID 113278603
2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284033
2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284171
3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 104852226
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283909
2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115283782

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid (CID 107971632) is 2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid is O=C(NC(C(=O)O)c1cccs1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is QKGBDAVPBHFHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO3S/c14-8-4-7(5-9(15)6-8)12(17)16-11(13(18)19)10-2-1-3-20-10/h1-6,11H,(H,16,17)(H,18,19).
What are the key properties of 2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid?
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 419.09 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 107971632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).