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

C25H34N2O4S — CID 93169436

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

2-methoxy-N-[(2R)-2-methylbutyl]-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (PubChem CID 93169436) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is 2-methoxy-N-[(2R)-2-methylbutyl]-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[(2R)-2-methylbutyl]-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
• PubChem CID: 93169436
• Molecular Formula: C25H34N2O4S
• Molecular Weight: 458.62 g/mol
• Exact Mass: 458.22
• IUPAC Name: 2-methoxy-N-[(2R)-2-methylbutyl]-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
• SMILES: CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)COC
• InChI: InChI=1S/C25H34N2O4S/c1-5-18(2)14-26(25(29)17-30-4)15-24(28)27-12-10-23-21(11-13-32-23)22(27)16-31-20-8-6-19(3)7-9-20/h6-9,11,13,18,22H,5,10,12,14-17H2,1-4H3/t18-,22-/m1/s1
• InChIKey: JPRURJAPWADJTQ-XMSQKQJNSA-N
• XLogP: 4.08
• 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	458.62
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-N-[(2R)-2-methylbutyl]-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (CID 93169436) is 2-methoxy-N-[(2R)-2-methylbutyl]-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.

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

The canonical SMILES for 2-methoxy-N-[(2R)-2-methylbutyl]-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)COC.

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

The InChIKey is JPRURJAPWADJTQ-XMSQKQJNSA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-5-18(2)14-26(25(29)17-30-4)15-24(28)27-12-10-23-21(11-13-32-23)22(27)16-31-20-8-6-19(3)7-9-20/h6-9,11,13,18,22H,5,10,12,14-17H2,1-4H3/t18-,22-/m1/s1.

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

2-methoxy-N-[(2R)-2-methylbutyl]-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide has a molecular weight of 458.62 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[(2R)-2-methylbutyl]-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 93169436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).