2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide

C26H34N2O4S — CID 46012374

About 2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide

2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 46012374) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
• PubChem CID: 46012374
• Molecular Formula: C26H34N2O4S
• Molecular Weight: 470.64 g/mol
• Exact Mass: 470.22
• IUPAC Name: 2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
• SMILES: Cc1ccccc1OCC1c2ccsc2CCN1C(=O)CN(CC1CCCO1)C(=O)C(C)C
• InChI: InChI=1S/C26H34N2O4S/c1-18(2)26(30)27(15-20-8-6-13-31-20)16-25(29)28-12-10-24-21(11-14-33-24)22(28)17-32-23-9-5-4-7-19(23)3/h4-5,7,9,11,14,18,20,22H,6,8,10,12-13,15-17H2,1-3H3
• InChIKey: HZSLJZQXUIOAIU-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.64
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide (CID 46012374) is 2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide.

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

The canonical SMILES for 2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide is Cc1ccccc1OCC1c2ccsc2CCN1C(=O)CN(CC1CCCO1)C(=O)C(C)C.

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

The InChIKey is HZSLJZQXUIOAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-18(2)26(30)27(15-20-8-6-13-31-20)16-25(29)28-12-10-24-21(11-14-33-24)22(28)17-32-23-9-5-4-7-19(23)3/h4-5,7,9,11,14,18,20,22H,6,8,10,12-13,15-17H2,1-3H3.

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

2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 470.64 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 46012374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).