3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid

C13H10FNO3S — CID 21079408

IUPAC3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2)sc1C(=O)O
InChIInChI=1S/C13H10FNO3S/c1-7(16)15-10-6-11(19-12(10)13(17)18)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyGBXPWIYPJCQDJG-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.21
Rot. Bonds3

About 3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid

3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid (PubChem CID 21079408) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid
PubChem CID21079408
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC Name3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2)sc1C(=O)O
InChIInChI=1S/C13H10FNO3S/c1-7(16)15-10-6-11(19-12(10)13(17)18)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyGBXPWIYPJCQDJG-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-{isopropyl[(Trans-4-Methylcyclohexyl)carbonyl]amino}-5-Phenylthiophene-2-Carboxylic Acid
CID 503536
4-(Thiophene-2-amido)benzoic acid
CID 746807
2-(Thiophene-2-amido)benzoic acid
CID 643302
3-(Isopropyl(4-Methylbenzoyl)Amino)-5-Phenylthiophene-2-Carboxylic Acid
CID 503535
Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
2-Benzamido-5-phenylthiophene-3-carboxylic acid
CID 709215
2-(2,2-Dimethyl-propionylamino)-5-phenyl-thiophene-3-carboxylic acid
CID 762466
2-(4-Fluoro-benzoylamino)-4-phenyl-thiophene-3-carboxylic acid
CID 829695
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
2-(4-Fluorobenzamido)-4-(p-tolyl)thiophene-3-carboxylic acid
CID 1353686
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
4-Methyl-3-[(thiophen-2-ylcarbonyl)amino]benzoic acid
CID 743768

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid (CID 21079408) is 3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid is CC(=O)Nc1cc(-c2ccc(F)cc2)sc1C(=O)O.
What is the InChIKey of 3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid?
The InChIKey is GBXPWIYPJCQDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c1-7(16)15-10-6-11(19-12(10)13(17)18)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid?
3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 21079408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).