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

C14H8FNO3S2 — CID 81498674

IUPAC3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
SMILESO=C(Nc1c(F)cccc1C(=O)O)c1cc2sccc2s1
InChIInChI=1S/C14H8FNO3S2/c15-8-3-1-2-7(14(18)19)12(8)16-13(17)11-6-10-9(21-11)4-5-20-10/h1-6H,(H,16,17)(H,18,19)
InChIKeyMJSWLFGNDBCLQU-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.05
Rot. Bonds3

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

3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid (PubChem CID 81498674) has the molecular formula C14H8FNO3S2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
PubChem CID81498674
Molecular FormulaC14H8FNO3S2
Molecular Weight321.35 g/mol
Exact Mass320.99
IUPAC Name3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
SMILESO=C(Nc1c(F)cccc1C(=O)O)c1cc2sccc2s1
InChIInChI=1S/C14H8FNO3S2/c15-8-3-1-2-7(14(18)19)12(8)16-13(17)11-6-10-9(21-11)4-5-20-10/h1-6H,(H,16,17)(H,18,19)
InChIKeyMJSWLFGNDBCLQU-UHFFFAOYSA-N
XLogP4.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722230
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
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
5-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722706
2-[(2,5-dibromothiophene-3-carbonyl)amino]-3-fluorobenzoic acid
CID 107949385
2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107688173
N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733182
N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113252495
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
3-(thieno[3,2-b]thiophene-5-carbonylamino)pyrazine-2-carboxylic acid
CID 80733671

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
The IUPAC name of 3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid (CID 81498674) is 3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
The canonical SMILES for 3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid is O=C(Nc1c(F)cccc1C(=O)O)c1cc2sccc2s1.
What is the InChIKey of 3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
The InChIKey is MJSWLFGNDBCLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3S2/c15-8-3-1-2-7(14(18)19)12(8)16-13(17)11-6-10-9(21-11)4-5-20-10/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid?
3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid has a molecular weight of 321.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid is sourced from PubChem (CID 81498674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).