2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid

C13H9Br2NO3S — CID 43092929

IUPAC2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C13H9Br2NO3S/c14-9-6-10(20-12(9)15)13(19)16-8-3-1-7(2-4-8)5-11(17)18/h1-4,6H,5H2,(H,16,19)(H,17,18)
InChIKeySLDJMKHUEHBXIE-UHFFFAOYSA-N
MW419.09 g/mol
LogP4.15
Rot. Bonds4

About 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid

2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 43092929) has the molecular formula C13H9Br2NO3S and a molecular weight of 419.09 g/mol. Its IUPAC name is 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid
PubChem CID43092929
Molecular FormulaC13H9Br2NO3S
Molecular Weight419.09 g/mol
Exact Mass416.87
IUPAC Name2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C13H9Br2NO3S/c14-9-6-10(20-12(9)15)13(19)16-8-3-1-7(2-4-8)5-11(17)18/h1-4,6H,5H2,(H,16,19)(H,17,18)
InChIKeySLDJMKHUEHBXIE-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
CID 39280552
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
4,5-dibromo-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 42119588
4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 4843233
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376
4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
CID 47254936
2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 113424571
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79989970

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid (CID 43092929) is 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is SLDJMKHUEHBXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO3S/c14-9-6-10(20-12(9)15)13(19)16-8-3-1-7(2-4-8)5-11(17)18/h1-4,6H,5H2,(H,16,19)(H,17,18).
What are the key properties of 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid?
2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 419.09 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 43092929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).