N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide

C22H28N2O3S — CID 46011280

About N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide

N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 46011280) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
• PubChem CID: 46011280
• Molecular Formula: C22H28N2O3S
• Molecular Weight: 400.54 g/mol
• Exact Mass: 400.18
• IUPAC Name: N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
• SMILES: CCC(C)N(CC(=O)N1CCc2sccc2C1COc1ccccc1)C(C)=O
• InChI: InChI=1S/C22H28N2O3S/c1-4-16(2)24(17(3)25)14-22(26)23-12-10-21-19(11-13-28-21)20(23)15-27-18-8-6-5-7-9-18/h5-9,11,13,16,20H,4,10,12,14-15H2,1-3H3
• InChIKey: MNLGFDMNDARTIC-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.54
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?

The IUPAC name of N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide (CID 46011280) is N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide.

What is the SMILES notation for N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?

The canonical SMILES for N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide is CCC(C)N(CC(=O)N1CCc2sccc2C1COc1ccccc1)C(C)=O.

What is the InChIKey of N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?

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

What are the key properties of N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?

N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 400.54 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 46011280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).