3-acetamido-5-bromothiophene-2-carboxylic acid

C7H6BrNO3S — CID 82364950

IUPAC3-acetamido-5-bromothiophene-2-carboxylic acid
SMILESCC(=O)Nc1cc(Br)sc1C(=O)O
InChIInChI=1S/C7H6BrNO3S/c1-3(10)9-4-2-5(8)13-6(4)7(11)12/h2H,1H3,(H,9,10)(H,11,12)
InChIKeyWDEKHSRBUSMUBI-UHFFFAOYSA-N
MW264.10 g/mol
LogP2.17
Rot. Bonds2

About 3-acetamido-5-bromothiophene-2-carboxylic acid

3-acetamido-5-bromothiophene-2-carboxylic acid (PubChem CID 82364950) has the molecular formula C7H6BrNO3S and a molecular weight of 264.10 g/mol. Its IUPAC name is 3-acetamido-5-bromothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-acetamido-5-bromothiophene-2-carboxylic acid
PubChem CID82364950
Molecular FormulaC7H6BrNO3S
Molecular Weight264.10 g/mol
Exact Mass262.93
IUPAC Name3-acetamido-5-bromothiophene-2-carboxylic acid
SMILESCC(=O)Nc1cc(Br)sc1C(=O)O
InChIInChI=1S/C7H6BrNO3S/c1-3(10)9-4-2-5(8)13-6(4)7(11)12/h2H,1H3,(H,9,10)(H,11,12)
InChIKeyWDEKHSRBUSMUBI-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.10
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]thiophene-2-carboxylic acid;propane
CID 142482224
[1-[(5-bromo-2-carbamoylthiophen-3-yl)amino]-1-oxobutan-2-yl]carbamic acid
CID 146371622
methane;methyl 5-bromo-3-(methoxyamino)thiophene-2-carboxylate
CID 143525831
[1-(3,5-dibromothiophen-2-yl)ethylideneamino]carbamic acid
CID 173170429
3,5-diacetamido-2-bromobenzoic acid
CID 142675642
5-acetyl-4-bromothiophene-2-carboxylic acid
CID 82383222
2,4,6-triacetamidobenzoic acid
CID 155677349
5-bromo-3-[(2-ethoxy-2-oxoethyl)carbamoyl]thiophene-2-carboxylic acid
CID 141154699
N-(2-bromo-5-tert-butylphenyl)acetamide
CID 146504103
3,4-diacetamidobenzoic acid
CID 2735923
2-acetamido-4,5-dihydroxybenzoic acid
CID 19386799
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-bromothiophene-2-carboxylic acid?
The IUPAC name of 3-acetamido-5-bromothiophene-2-carboxylic acid (CID 82364950) is 3-acetamido-5-bromothiophene-2-carboxylic acid.
What is the SMILES notation for 3-acetamido-5-bromothiophene-2-carboxylic acid?
The canonical SMILES for 3-acetamido-5-bromothiophene-2-carboxylic acid is CC(=O)Nc1cc(Br)sc1C(=O)O.
What is the InChIKey of 3-acetamido-5-bromothiophene-2-carboxylic acid?
The InChIKey is WDEKHSRBUSMUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO3S/c1-3(10)9-4-2-5(8)13-6(4)7(11)12/h2H,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-acetamido-5-bromothiophene-2-carboxylic acid?
3-acetamido-5-bromothiophene-2-carboxylic acid has a molecular weight of 264.10 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-bromothiophene-2-carboxylic acid is sourced from PubChem (CID 82364950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).