N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide

C26H27ClN2O2S — CID 5175359

About N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide

N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide (PubChem CID 5175359) has the molecular formula C26H27ClN2O2S and a molecular weight of 467.03 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
• PubChem CID: 5175359
• Molecular Formula: C26H27ClN2O2S
• Molecular Weight: 467.03 g/mol
• Exact Mass: 466.15
• IUPAC Name: N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
• SMILES: CC(C)(C)N(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C26H27ClN2O2S/c1-26(2,3)29(25(31)19-11-7-8-12-21(19)27)17-23(30)28-15-13-22-20(14-16-32-22)24(28)18-9-5-4-6-10-18/h4-12,14,16,24H,13,15,17H2,1-3H3
• InChIKey: OKMARACBESGCDU-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.03
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide (CID 5175359) is N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide.

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

The canonical SMILES for N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide is CC(C)(C)N(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)c1ccccc1Cl.

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

The InChIKey is OKMARACBESGCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2S/c1-26(2,3)29(25(31)19-11-7-8-12-21(19)27)17-23(30)28-15-13-22-20(14-16-32-22)24(28)18-9-5-4-6-10-18/h4-12,14,16,24H,13,15,17H2,1-3H3.

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

N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide has a molecular weight of 467.03 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-chloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide is sourced from PubChem (CID 5175359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).