N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide

C25H28N2O2S2 — CID 3627672

About N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide

N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 3627672) has the molecular formula C25H28N2O2S2 and a molecular weight of 452.65 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide
• PubChem CID: 3627672
• Molecular Formula: C25H28N2O2S2
• Molecular Weight: 452.65 g/mol
• Exact Mass: 452.16
• IUPAC Name: N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide
• SMILES: CC(C)CN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)Cc1cccs1
• InChI: InChI=1S/C25H28N2O2S2/c1-18(2)16-26(23(28)15-20-9-6-13-30-20)17-24(29)27-12-10-22-21(11-14-31-22)25(27)19-7-4-3-5-8-19/h3-9,11,13-14,18,25H,10,12,15-17H2,1-2H3
• InChIKey: VDHIOTFZEXLWKF-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 40.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.65
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide (CID 3627672) is N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide.

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

The canonical SMILES for N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide is CC(C)CN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)Cc1cccs1.

What is the InChIKey of N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide?

The InChIKey is VDHIOTFZEXLWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S2/c1-18(2)16-26(23(28)15-20-9-6-13-30-20)17-24(29)27-12-10-22-21(11-14-31-22)25(27)19-7-4-3-5-8-19/h3-9,11,13-14,18,25H,10,12,15-17H2,1-2H3.

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

N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 452.65 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3627672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).