N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C24H26N4O2S — CID 110193445

About N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 110193445) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 110193445
• Molecular Formula: C24H26N4O2S
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.18
• IUPAC Name: N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: NCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C24H26N4O2S/c25-12-13-26-23(30)21-19-11-14-28(15-17-7-3-1-4-8-17)16-20(19)31-24(21)27-22(29)18-9-5-2-6-10-18/h1-10H,11-16,25H2,(H,26,30)(H,27,29)
• InChIKey: KPYBRHDASJSOQF-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 87.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 110193445) is N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is NCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCN(Cc1ccccc1)C2.

What is the InChIKey of N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is KPYBRHDASJSOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c25-12-13-26-23(30)21-19-11-14-28(15-17-7-3-1-4-8-17)16-20(19)31-24(21)27-22(29)18-9-5-2-6-10-18/h1-10H,11-16,25H2,(H,26,30)(H,27,29).

What are the key properties of N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 110193445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).