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

C24H31FN2O4S — CID 93170474

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

N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)acetamide (PubChem CID 93170474) has the molecular formula C24H31FN2O4S and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)acetamide
• PubChem CID: 93170474
• Molecular Formula: C24H31FN2O4S
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.20
• IUPAC Name: N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)acetamide
• SMILES: COCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1
• InChI: InChI=1S/C24H31FN2O4S/c1-17(2)7-10-26(24(29)16-30-3)14-23(28)27-11-8-22-20(9-12-32-22)21(27)15-31-19-6-4-5-18(25)13-19/h4-6,9,12-13,17,21H,7-8,10-11,14-16H2,1-3H3/t21-/m0/s1
• InChIKey: STRNOIVYLWSWHG-NRFANRHFSA-N
• XLogP: 3.91
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)acetamide (CID 93170474) is N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)acetamide.

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

The canonical SMILES for N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)acetamide is COCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1.

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

The InChIKey is STRNOIVYLWSWHG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31FN2O4S/c1-17(2)7-10-26(24(29)16-30-3)14-23(28)27-11-8-22-20(9-12-32-22)21(27)15-31-19-6-4-5-18(25)13-19/h4-6,9,12-13,17,21H,7-8,10-11,14-16H2,1-3H3/t21-/m0/s1.

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

N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)acetamide has a molecular weight of 462.59 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 93170474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).