N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C23H27FN2O4S — CID 93170795

About N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 93170795) has the molecular formula C23H27FN2O4S and a molecular weight of 446.54 g/mol. Its IUPAC name is N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
• PubChem CID: 93170795
• Molecular Formula: C23H27FN2O4S
• Molecular Weight: 446.54 g/mol
• Exact Mass: 446.17
• IUPAC Name: N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
• SMILES: CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H]1CCCO1
• InChI: InChI=1S/C23H27FN2O4S/c1-16(27)25(13-19-3-2-11-29-19)14-23(28)26-10-8-22-20(9-12-31-22)21(26)15-30-18-6-4-17(24)5-7-18/h4-7,9,12,19,21H,2-3,8,10-11,13-15H2,1H3/t19-,21+/m1/s1
• InChIKey: WYHSUJXFVYYIEP-CTNGQTDRSA-N
• XLogP: 3.42
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.54
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 93170795) is N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

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

The canonical SMILES for N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H]1CCCO1.

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

The InChIKey is WYHSUJXFVYYIEP-CTNGQTDRSA-N. The full InChI is InChI=1S/C23H27FN2O4S/c1-16(27)25(13-19-3-2-11-29-19)14-23(28)26-10-8-22-20(9-12-31-22)21(26)15-30-18-6-4-17(24)5-7-18/h4-7,9,12,19,21H,2-3,8,10-11,13-15H2,1H3/t19-,21+/m1/s1.

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

N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 446.54 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93170795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).