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

C26H32N2O5S — CID 46011030

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

N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 46011030) has the molecular formula C26H32N2O5S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
• PubChem CID: 46011030
• Molecular Formula: C26H32N2O5S
• Molecular Weight: 484.62 g/mol
• Exact Mass: 484.20
• IUPAC Name: N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
• SMILES: COc1ccccc1OCC1c2ccsc2CCN1C(=O)CN(CC1CCCO1)C(=O)C1CC1
• InChI: InChI=1S/C26H32N2O5S/c1-31-22-6-2-3-7-23(22)33-17-21-20-11-14-34-24(20)10-12-28(21)25(29)16-27(26(30)18-8-9-18)15-19-5-4-13-32-19/h2-3,6-7,11,14,18-19,21H,4-5,8-10,12-13,15-17H2,1H3
• InChIKey: HRLXSGZMOGAVEL-UHFFFAOYSA-N
• XLogP: 3.68
• 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	484.62
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide (CID 46011030) is N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide.

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

The canonical SMILES for N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide is COc1ccccc1OCC1c2ccsc2CCN1C(=O)CN(CC1CCCO1)C(=O)C1CC1.

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

The InChIKey is HRLXSGZMOGAVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5S/c1-31-22-6-2-3-7-23(22)33-17-21-20-11-14-34-24(20)10-12-28(21)25(29)16-27(26(30)18-8-9-18)15-19-5-4-13-32-19/h2-3,6-7,11,14,18-19,21H,4-5,8-10,12-13,15-17H2,1H3.

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

N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide has a molecular weight of 484.62 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 46011030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).