N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

C21H26N2O3S — CID 154740250

About N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 154740250) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 154740250
• Molecular Formula: C21H26N2O3S
• Molecular Weight: 386.52 g/mol
• Exact Mass: 386.17
• IUPAC Name: N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2cc3c(s2)CCNC3)c(OCC2CCCO2)c1
• InChI: InChI=1S/C21H26N2O3S/c1-14-4-5-15(18(9-14)26-13-17-3-2-8-25-17)12-23-21(24)20-10-16-11-22-7-6-19(16)27-20/h4-5,9-10,17,22H,2-3,6-8,11-13H2,1H3,(H,23,24)
• InChIKey: YHQXIVJIIRKTOH-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 59.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.52
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (CID 154740250) is N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cc3c(s2)CCNC3)c(OCC2CCCO2)c1.

What is the InChIKey of N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

The InChIKey is YHQXIVJIIRKTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14-4-5-15(18(9-14)26-13-17-3-2-8-25-17)12-23-21(24)20-10-16-11-22-7-6-19(16)27-20/h4-5,9-10,17,22H,2-3,6-8,11-13H2,1H3,(H,23,24).

What are the key properties of N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 154740250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).