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

C27H28N2O3S — CID 46011303

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

N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide (PubChem CID 46011303) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide
• PubChem CID: 46011303
• Molecular Formula: C27H28N2O3S
• Molecular Weight: 460.60 g/mol
• Exact Mass: 460.18
• IUPAC Name: N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)N(CC(=O)N1CCc2sccc2C1COc1ccccc1)C1CC1
• InChI: InChI=1S/C27H28N2O3S/c30-26(17-20-7-3-1-4-8-20)29(21-11-12-21)18-27(31)28-15-13-25-23(14-16-33-25)24(28)19-32-22-9-5-2-6-10-22/h1-10,14,16,21,24H,11-13,15,17-19H2
• InChIKey: NKVDJJGFKZQJRE-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.60
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide (CID 46011303) is N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide.

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

The canonical SMILES for N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)N(CC(=O)N1CCc2sccc2C1COc1ccccc1)C1CC1.

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

The InChIKey is NKVDJJGFKZQJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3S/c30-26(17-20-7-3-1-4-8-20)29(21-11-12-21)18-27(31)28-15-13-25-23(14-16-33-25)24(28)19-32-22-9-5-2-6-10-22/h1-10,14,16,21,24H,11-13,15,17-19H2.

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

N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide has a molecular weight of 460.60 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 46011303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).