2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid

C13H10FNO4S — CID 107013766

IUPAC2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1c(O)cccc1F
InChIInChI=1S/C13H10FNO4S/c14-7-3-1-4-8(16)10(7)12(17)15-11(13(18)19)9-5-2-6-20-9/h1-6,11,16H,(H,15,17)(H,18,19)
InChIKeyGPFYNNWFTHMVMQ-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.15
Rot. Bonds4

About 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid

2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 107013766) has the molecular formula C13H10FNO4S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID107013766
Molecular FormulaC13H10FNO4S
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1c(O)cccc1F
InChIInChI=1S/C13H10FNO4S/c14-7-3-1-4-8(16)10(7)12(17)15-11(13(18)19)9-5-2-6-20-9/h1-6,11,16H,(H,15,17)(H,18,19)
InChIKeyGPFYNNWFTHMVMQ-UHFFFAOYSA-N
XLogP2.15
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284171
2-fluoro-6-hydroxy-N-(1-thiophen-2-ylbutyl)benzamide
CID 104917044
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875
2-[(3-bromo-4-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107949412
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283909
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
(2S)-2-[(2-fluoro-6-hydroxybenzoyl)amino]pentanedioic acid
CID 107013469
2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 82883193

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid (CID 107013766) is 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid is O=C(NC(C(=O)O)c1cccs1)c1c(O)cccc1F.
What is the InChIKey of 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is GPFYNNWFTHMVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4S/c14-7-3-1-4-8(16)10(7)12(17)15-11(13(18)19)9-5-2-6-20-9/h1-6,11,16H,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 295.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 107013766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).