5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid

C14H9NO4S2 — CID 80722230

IUPAC5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1cc2sccc2s1
InChIInChI=1S/C14H9NO4S2/c16-7-1-2-9(8(5-7)14(18)19)15-13(17)12-6-11-10(21-12)3-4-20-11/h1-6,16H,(H,15,17)(H,18,19)
InChIKeyRLACTHMFJDMOFC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.62
Rot. Bonds3

About 5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid

5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid (PubChem CID 80722230) has the molecular formula C14H9NO4S2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
PubChem CID80722230
Molecular FormulaC14H9NO4S2
Molecular Weight319.36 g/mol
Exact Mass319.00
IUPAC Name5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1cc2sccc2s1
InChIInChI=1S/C14H9NO4S2/c16-7-1-2-9(8(5-7)14(18)19)15-13(17)12-6-11-10(21-12)3-4-20-11/h1-6,16H,(H,15,17)(H,18,19)
InChIKeyRLACTHMFJDMOFC-UHFFFAOYSA-N
XLogP3.62
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-iodo-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723029
5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722215
5-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722706
2-methyl-5-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723700
2-methyl-4-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722535
3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 81498674
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 107675579
2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid
CID 61406156
N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 154852926
N-(3-chloro-4-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78955049
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
The IUPAC name of 5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid (CID 80722230) is 5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid is O=C(Nc1ccc(O)cc1C(=O)O)c1cc2sccc2s1.
What is the InChIKey of 5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
The InChIKey is RLACTHMFJDMOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4S2/c16-7-1-2-9(8(5-7)14(18)19)15-13(17)12-6-11-10(21-12)3-4-20-11/h1-6,16H,(H,15,17)(H,18,19).
What are the key properties of 5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid has a molecular weight of 319.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid is sourced from PubChem (CID 80722230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).