2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid

C14H12FNO4S — CID 63174643

IUPAC2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)COc2ccccc2F)s1
InChIInChI=1S/C14H12FNO4S/c1-8-6-9(14(18)19)13(21-8)16-12(17)7-20-11-5-3-2-4-10(11)15/h2-6H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyHMTQXELUNGXUHG-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.91
Rot. Bonds5

About 2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid

2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 63174643) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
PubChem CID63174643
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)COc2ccccc2F)s1
InChIInChI=1S/C14H12FNO4S/c1-8-6-9(14(18)19)13(21-8)16-12(17)7-20-11-5-3-2-4-10(11)15/h2-6H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyHMTQXELUNGXUHG-UHFFFAOYSA-N
XLogP2.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 28858761
2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860628
2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid
CID 63614206
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860630
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
2-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860626
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
CID 7809022
5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
CID 63617001
5-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid
CID 63172490
2-[3-(2-fluorophenoxy)propanoylamino]thiophene-3-carboxylic acid
CID 43357428

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid (CID 63174643) is 2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)COc2ccccc2F)s1.
What is the InChIKey of 2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is HMTQXELUNGXUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-8-6-9(14(18)19)13(21-8)16-12(17)7-20-11-5-3-2-4-10(11)15/h2-6H,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 63174643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).