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

C22H28N2O3S — CID 46011454

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

N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 46011454) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 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-propan-2-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide
• PubChem CID: 46011454
• Molecular Formula: C22H28N2O3S
• Molecular Weight: 400.54 g/mol
• Exact Mass: 400.18
• IUPAC Name: N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide
• SMILES: CC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C)cc1)C(C)C
• InChI: InChI=1S/C22H28N2O3S/c1-15(2)24(17(4)25)13-22(26)23-11-9-21-19(10-12-28-21)20(23)14-27-18-7-5-16(3)6-8-18/h5-8,10,12,15,20H,9,11,13-14H2,1-4H3
• InChIKey: KMZMLCLEATUSAG-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.54
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-propan-2-ylacetamide?

The IUPAC name of N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide (CID 46011454) is N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide.

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-propan-2-ylacetamide?

The canonical SMILES for N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide is CC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C)cc1)C(C)C.

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-propan-2-ylacetamide?

The InChIKey is KMZMLCLEATUSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-15(2)24(17(4)25)13-22(26)23-11-9-21-19(10-12-28-21)20(23)14-27-18-7-5-16(3)6-8-18/h5-8,10,12,15,20H,9,11,13-14H2,1-4H3.

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-propan-2-ylacetamide?

N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 400.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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-propan-2-ylacetamide is sourced from PubChem (CID 46011454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).