6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride

C24H25ClN3O4S- — CID 53313288

About 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride

6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride (PubChem CID 53313288) has the molecular formula C24H25ClN3O4S- and a molecular weight of 487.00 g/mol. Its IUPAC name is 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride.

Molecular Properties

• Compound Name: 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
• PubChem CID: 53313288
• Molecular Formula: C24H25ClN3O4S-
• Molecular Weight: 487.00 g/mol
• Exact Mass: 486.13
• IUPAC Name: 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
• SMILES: COc1cccc(OC)c1C(=O)Nc1sc2c(c1C(N)=O)CCN(Cc1ccccc1)C2.[Cl-]
• InChI: InChI=1S/C24H25N3O4S.ClH/c1-30-17-9-6-10-18(31-2)21(17)23(29)26-24-20(22(25)28)16-11-12-27(14-19(16)32-24)13-15-7-4-3-5-8-15;/h3-10H,11-14H2,1-2H3,(H2,25,28)(H,26,29);1H/p-1
• InChIKey: ZPHJMWROKOAGBE-UHFFFAOYSA-M
• XLogP: 0.68
• TPSA: 93.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.00
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride (CID 53313288) is 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride.

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

The canonical SMILES for 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride is COc1cccc(OC)c1C(=O)Nc1sc2c(c1C(N)=O)CCN(Cc1ccccc1)C2.[Cl-].

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

The InChIKey is ZPHJMWROKOAGBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25N3O4S.ClH/c1-30-17-9-6-10-18(31-2)21(17)23(29)26-24-20(22(25)28)16-11-12-27(14-19(16)32-24)13-15-7-4-3-5-8-15;/h3-10H,11-14H2,1-2H3,(H2,25,28)(H,26,29);1H/p-1.

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

6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride has a molecular weight of 487.00 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride is sourced from PubChem (CID 53313288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).