5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid

C13H9F2NO4S — CID 43474397

IUPAC5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(COc1ccc(F)cc1F)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C13H9F2NO4S/c14-7-1-2-9(8(15)5-7)20-6-11(17)16-12-4-3-10(21-12)13(18)19/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyTUOWCEMVRJTJEE-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.74
Rot. Bonds5

About 5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid

5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43474397) has the molecular formula C13H9F2NO4S and a molecular weight of 313.28 g/mol. Its IUPAC name is 5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid
PubChem CID43474397
Molecular FormulaC13H9F2NO4S
Molecular Weight313.28 g/mol
Exact Mass313.02
IUPAC Name5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(COc1ccc(F)cc1F)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C13H9F2NO4S/c14-7-1-2-9(8(15)5-7)20-6-11(17)16-12-4-3-10(21-12)13(18)19/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyTUOWCEMVRJTJEE-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(2,4-difluorophenoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 17250313
2-(2,4-difluorophenoxy)-N-(2-hydroxyphenyl)acetamide
CID 31984086
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 60967966
2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 31902407
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
2-(2,4-difluorophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519487
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-(2-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31854987
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161
2-(2,4-difluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 31887504

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid (CID 43474397) is 5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid is O=C(COc1ccc(F)cc1F)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is TUOWCEMVRJTJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO4S/c14-7-1-2-9(8(15)5-7)20-6-11(17)16-12-4-3-10(21-12)13(18)19/h1-5H,6H2,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid?
5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 313.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).