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

C26H34N2O5S — CID 93168548

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

N-[2-[(4S)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 93168548) has the molecular formula C26H34N2O5S and a molecular weight of 486.63 g/mol. Its IUPAC name is N-[2-[(4S)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(4S)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
• PubChem CID: 93168548
• Molecular Formula: C26H34N2O5S
• Molecular Weight: 486.63 g/mol
• Exact Mass: 486.22
• IUPAC Name: N-[2-[(4S)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
• SMILES: COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H]1CCCO1
• InChI: InChI=1S/C26H34N2O5S/c1-18-6-7-23(19(2)13-18)33-16-22-21-9-12-34-24(21)8-10-28(22)25(29)15-27(26(30)17-31-3)14-20-5-4-11-32-20/h6-7,9,12-13,20,22H,4-5,8,10-11,14-17H2,1-3H3/t20-,22-/m1/s1
• InChIKey: MBKOSAOXDZHEGL-IFMALSPDSA-N
• XLogP: 3.52
• TPSA: 68.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.63
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[(4S)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 93168548) is N-[2-[(4S)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

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

The canonical SMILES for N-[2-[(4S)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide is COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H]1CCCO1.

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

The InChIKey is MBKOSAOXDZHEGL-IFMALSPDSA-N. The full InChI is InChI=1S/C26H34N2O5S/c1-18-6-7-23(19(2)13-18)33-16-22-21-9-12-34-24(21)8-10-28(22)25(29)15-27(26(30)17-31-3)14-20-5-4-11-32-20/h6-7,9,12-13,20,22H,4-5,8,10-11,14-17H2,1-3H3/t20-,22-/m1/s1.

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

N-[2-[(4S)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 486.63 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4S)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93168548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).