4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid

C19H15FN2O3S — CID 91094278

IUPAC4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid
SMILESO=C(CCc1ccc(-c2ccccc2F)cn1)Nc1cscc1C(=O)O
InChIInChI=1S/C19H15FN2O3S/c20-16-4-2-1-3-14(16)12-5-6-13(21-9-12)7-8-18(23)22-17-11-26-10-15(17)19(24)25/h1-6,9-11H,7-8H2,(H,22,23)(H,24,25)
InChIKeyPHZHCVCVIRFHOL-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.22
Rot. Bonds6

About 4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid

4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid (PubChem CID 91094278) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid
PubChem CID91094278
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Name4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid
SMILESO=C(CCc1ccc(-c2ccccc2F)cn1)Nc1cscc1C(=O)O
InChIInChI=1S/C19H15FN2O3S/c20-16-4-2-1-3-14(16)12-5-6-13(21-9-12)7-8-18(23)22-17-11-26-10-15(17)19(24)25/h1-6,9-11H,7-8H2,(H,22,23)(H,24,25)
InChIKeyPHZHCVCVIRFHOL-UHFFFAOYSA-N
XLogP4.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid (CID 91094278) is 4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid is O=C(CCc1ccc(-c2ccccc2F)cn1)Nc1cscc1C(=O)O.
What is the InChIKey of 4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid?
The InChIKey is PHZHCVCVIRFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c20-16-4-2-1-3-14(16)12-5-6-13(21-9-12)7-8-18(23)22-17-11-26-10-15(17)19(24)25/h1-6,9-11H,7-8H2,(H,22,23)(H,24,25).
What are the key properties of 4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid?
4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(2-fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 91094278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).