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

C28H36N2O4S — CID 46011552

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

N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide (PubChem CID 46011552) has the molecular formula C28H36N2O4S and a molecular weight of 496.67 g/mol. Its IUPAC name is N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide
• PubChem CID: 46011552
• Molecular Formula: C28H36N2O4S
• Molecular Weight: 496.67 g/mol
• Exact Mass: 496.24
• IUPAC Name: N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide
• SMILES: Cc1ccc(OCC2c3ccsc3CCN2C(=O)CN(CC2CCCO2)C(=O)C2CCCC2)cc1
• InChI: InChI=1S/C28H36N2O4S/c1-20-8-10-22(11-9-20)34-19-25-24-13-16-35-26(24)12-14-30(25)27(31)18-29(17-23-7-4-15-33-23)28(32)21-5-2-3-6-21/h8-11,13,16,21,23,25H,2-7,12,14-15,17-19H2,1H3
• InChIKey: OXYWVFJOMHBRSX-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.67
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide (CID 46011552) is N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide.

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

The canonical SMILES for N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide is Cc1ccc(OCC2c3ccsc3CCN2C(=O)CN(CC2CCCO2)C(=O)C2CCCC2)cc1.

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

The InChIKey is OXYWVFJOMHBRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4S/c1-20-8-10-22(11-9-20)34-19-25-24-13-16-35-26(24)12-14-30(25)27(31)18-29(17-23-7-4-15-33-23)28(32)21-5-2-3-6-21/h8-11,13,16,21,23,25H,2-7,12,14-15,17-19H2,1H3.

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

N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide has a molecular weight of 496.67 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 46011552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).