2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid

C14H12FNO4S — CID 115283909

IUPAC2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESCOc1ccc(C(=O)NC(C(=O)O)c2cccs2)cc1F
InChIInChI=1S/C14H12FNO4S/c1-20-10-5-4-8(7-9(10)15)13(17)16-12(14(18)19)11-3-2-6-21-11/h2-7,12H,1H3,(H,16,17)(H,18,19)
InChIKeyKAFNCEZTBAWQQP-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.45
Rot. Bonds5

About 2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid

2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115283909) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115283909
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESCOc1ccc(C(=O)NC(C(=O)O)c2cccs2)cc1F
InChIInChI=1S/C14H12FNO4S/c1-20-10-5-4-8(7-9(10)15)13(17)16-12(14(18)19)11-3-2-6-21-11/h2-7,12H,1H3,(H,16,17)(H,18,19)
InChIKeyKAFNCEZTBAWQQP-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107949412
3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 119104238
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
(2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926690
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
2-[(3-bromo-4-chlorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107998044
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 8540773
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid (CID 115283909) is 2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid is COc1ccc(C(=O)NC(C(=O)O)c2cccs2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is KAFNCEZTBAWQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-20-10-5-4-8(7-9(10)15)13(17)16-12(14(18)19)11-3-2-6-21-11/h2-7,12H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid?
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 309.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115283909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).