N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide

C24H23FN2O3S2 — CID 42837763

About N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide

N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 42837763) has the molecular formula C24H23FN2O3S2 and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
• PubChem CID: 42837763
• Molecular Formula: C24H23FN2O3S2
• Molecular Weight: 470.59 g/mol
• Exact Mass: 470.11
• IUPAC Name: N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
• SMILES: C=CCN(CC(=O)N1CCc2sccc2C1COc1ccccc1F)C(=O)c1cccs1
• InChI: InChI=1S/C24H23FN2O3S2/c1-2-11-26(24(29)22-8-5-13-31-22)15-23(28)27-12-9-21-17(10-14-32-21)19(27)16-30-20-7-4-3-6-18(20)25/h2-8,10,13-14,19H,1,9,11-12,15-16H2
• InChIKey: DTLXMSXBJKCELJ-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 49.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.59
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

The IUPAC name of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide (CID 42837763) is N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide.

What is the SMILES notation for N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

The canonical SMILES for N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide is C=CCN(CC(=O)N1CCc2sccc2C1COc1ccccc1F)C(=O)c1cccs1.

What is the InChIKey of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

The InChIKey is DTLXMSXBJKCELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S2/c1-2-11-26(24(29)22-8-5-13-31-22)15-23(28)27-12-9-21-17(10-14-32-21)19(27)16-30-20-7-4-3-6-18(20)25/h2-8,10,13-14,19H,1,9,11-12,15-16H2.

What are the key properties of N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 470.59 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 42837763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).