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

C13H10BrNO4S — CID 43171472

IUPAC2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid
SMILESO=C(COc1cccc(Br)c1)Nc1sccc1C(=O)O
InChIInChI=1S/C13H10BrNO4S/c14-8-2-1-3-9(6-8)19-7-11(16)15-12-10(13(17)18)4-5-20-12/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyIMZAAQKCGLIGFB-UHFFFAOYSA-N
MW356.20 g/mol
LogP3.23
Rot. Bonds5

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

2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid (PubChem CID 43171472) has the molecular formula C13H10BrNO4S and a molecular weight of 356.20 g/mol. Its IUPAC name is 2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid
PubChem CID43171472
Molecular FormulaC13H10BrNO4S
Molecular Weight356.20 g/mol
Exact Mass354.95
IUPAC Name2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid
SMILESO=C(COc1cccc(Br)c1)Nc1sccc1C(=O)O
InChIInChI=1S/C13H10BrNO4S/c14-8-2-1-3-9(6-8)19-7-11(16)15-12-10(13(17)18)4-5-20-12/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyIMZAAQKCGLIGFB-UHFFFAOYSA-N
XLogP3.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357234
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43171497
5-[[2-(3-bromophenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43474292
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357394
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 63650319
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698938
N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide
CID 35933556
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
CID 9451872

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid (CID 43171472) is 2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid is O=C(COc1cccc(Br)c1)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The InChIKey is IMZAAQKCGLIGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4S/c14-8-2-1-3-9(6-8)19-7-11(16)15-12-10(13(17)18)4-5-20-12/h1-6H,7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid?
2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid has a molecular weight of 356.20 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43171472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).