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

C20H27N3O2S2 — CID 42897091

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

2-[ethyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide (PubChem CID 42897091) has the molecular formula C20H27N3O2S2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide
• PubChem CID: 42897091
• Molecular Formula: C20H27N3O2S2
• Molecular Weight: 405.59 g/mol
• Exact Mass: 405.15
• IUPAC Name: 2-[ethyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide
• SMILES: CCN(CC(=O)NC(C)C)CC(=O)N1CCc2sccc2C1c1cccs1
• InChI: InChI=1S/C20H27N3O2S2/c1-4-22(12-18(24)21-14(2)3)13-19(25)23-9-7-16-15(8-11-27-16)20(23)17-6-5-10-26-17/h5-6,8,10-11,14,20H,4,7,9,12-13H2,1-3H3,(H,21,24)
• InChIKey: YLQCASTVYWDNPL-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.59
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[ethyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide (CID 42897091) is 2-[ethyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide.

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

The canonical SMILES for 2-[ethyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)CC(=O)N1CCc2sccc2C1c1cccs1.

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

The InChIKey is YLQCASTVYWDNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S2/c1-4-22(12-18(24)21-14(2)3)13-19(25)23-9-7-16-15(8-11-27-16)20(23)17-6-5-10-26-17/h5-6,8,10-11,14,20H,4,7,9,12-13H2,1-3H3,(H,21,24).

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

2-[ethyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 405.59 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 42897091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).