N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C20H26N2O3S — CID 51683410

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 51683410) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
• PubChem CID: 51683410
• Molecular Formula: C20H26N2O3S
• Molecular Weight: 374.51 g/mol
• Exact Mass: 374.17
• IUPAC Name: N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
• SMILES: COc1ccc(OC)c([C@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)c1
• InChI: InChI=1S/C20H26N2O3S/c1-13(17-11-15(24-3)5-6-18(17)25-4)21-20(23)12-22-9-7-19-16(14(22)2)8-10-26-19/h5-6,8,10-11,13-14H,7,9,12H2,1-4H3,(H,21,23)/t13-,14+/m0/s1
• InChIKey: ICFAJLMCRGTFSB-UONOGXRCSA-N
• XLogP: 3.56
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.51
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 51683410) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is COc1ccc(OC)c([C@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)c1.

What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The InChIKey is ICFAJLMCRGTFSB-UONOGXRCSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-13(17-11-15(24-3)5-6-18(17)25-4)21-20(23)12-22-9-7-19-16(14(22)2)8-10-26-19/h5-6,8,10-11,13-14H,7,9,12H2,1-4H3,(H,21,23)/t13-,14+/m0/s1.

What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 51683410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).