2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid

C14H12FNO4S — CID 115284111

IUPAC2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid
SMILESO=C(COc1ccc(F)cc1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H12FNO4S/c15-9-3-5-10(6-4-9)20-8-12(17)16-13(14(18)19)11-2-1-7-21-11/h1-7,13H,8H2,(H,16,17)(H,18,19)
InChIKeyNSGUOSBALHXBJV-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.21
Rot. Bonds6

About 2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid

2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284111) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID115284111
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid
SMILESO=C(COc1ccc(F)cc1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H12FNO4S/c15-9-3-5-10(6-4-9)20-8-12(17)16-13(14(18)19)11-2-1-7-21-11/h1-7,13H,8H2,(H,16,17)(H,18,19)
InChIKeyNSGUOSBALHXBJV-UHFFFAOYSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 112602340
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284193
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41442393
N-(1,3-dihydroxypropan-2-yl)-2-(4-fluorophenoxy)acetamide
CID 65315333
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide
CID 17492974
(3R)-5-[2-(4-fluorophenoxy)ethylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97354716
(3S)-5-[2-(4-fluorophenoxy)ethylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97354715
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid (CID 115284111) is 2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid is O=C(COc1ccc(F)cc1)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is NSGUOSBALHXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c15-9-3-5-10(6-4-9)20-8-12(17)16-13(14(18)19)11-2-1-7-21-11/h1-7,13H,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid?
2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 309.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).