2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid

C14H14BrNO2S — CID 114888224

IUPAC2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
SMILESCC(Cc1cccs1)Nc1cccc(Br)c1C(=O)O
InChIInChI=1S/C14H14BrNO2S/c1-9(8-10-4-3-7-19-10)16-12-6-2-5-11(15)13(12)14(17)18/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyUQMAABMNIJBLPC-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.25
Rot. Bonds5

About 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid

2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid (PubChem CID 114888224) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid.

Molecular Properties

Compound Name2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
PubChem CID114888224
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
SMILESCC(Cc1cccs1)Nc1cccc(Br)c1C(=O)O
InChIInChI=1S/C14H14BrNO2S/c1-9(8-10-4-3-7-19-10)16-12-6-2-5-11(15)13(12)14(17)18/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyUQMAABMNIJBLPC-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic 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

2-bromo-6-(4,4,4-trifluorobutan-2-ylamino)benzoic acid
CID 114131875
2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81053770
3-chloro-4-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
CID 63293665
2-bromo-6-(1-piperidin-1-ylpropan-2-ylamino)benzoic acid
CID 114888005
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80568782
methyl 2,3-difluoro-4-(1-thiophen-2-ylpropan-2-ylamino)benzoate
CID 79834904
3-bromo-4-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
CID 82804851
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 107062606
2-bromo-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 114888414
2-bromo-6-(methylamino)benzoic acid
CID 114887837

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid?
The IUPAC name of 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid (CID 114888224) is 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid.
What is the SMILES notation for 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid?
The canonical SMILES for 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid is CC(Cc1cccs1)Nc1cccc(Br)c1C(=O)O.
What is the InChIKey of 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid?
The InChIKey is UQMAABMNIJBLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-9(8-10-4-3-7-19-10)16-12-6-2-5-11(15)13(12)14(17)18/h2-7,9,16H,8H2,1H3,(H,17,18).
What are the key properties of 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid?
2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid has a molecular weight of 340.24 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid is sourced from PubChem (CID 114888224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).