3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid

C13H10BrNO3S — CID 24709000

IUPAC3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H10BrNO3S/c14-9-3-1-8(2-4-9)7-11(16)15-10-5-6-19-12(10)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyRWOCJQKCBJGZJA-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.39
Rot. Bonds4

About 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid

3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid (PubChem CID 24709000) has the molecular formula C13H10BrNO3S and a molecular weight of 340.20 g/mol. Its IUPAC name is 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid
PubChem CID24709000
Molecular FormulaC13H10BrNO3S
Molecular Weight340.20 g/mol
Exact Mass338.96
IUPAC Name3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)O
InChIInChI=1S/C13H10BrNO3S/c14-9-3-1-8(2-4-9)7-11(16)15-10-5-6-19-12(10)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyRWOCJQKCBJGZJA-UHFFFAOYSA-N
XLogP3.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid (CID 24709000) is 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid is O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is RWOCJQKCBJGZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3S/c14-9-3-1-8(2-4-9)7-11(16)15-10-5-6-19-12(10)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid?
3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 340.20 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromophenyl)acetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 24709000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).