N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C24H22N2O4S — CID 42944711

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 42944711) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• PubChem CID: 42944711
• Molecular Formula: C24H22N2O4S
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.13
• IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• SMILES: Cc1c(NC(=O)C2COc3ccccc3O2)cccc1C(=O)N1CCc2sccc2C1
• InChI: InChI=1S/C24H22N2O4S/c1-15-17(24(28)26-11-9-22-16(13-26)10-12-31-22)5-4-6-18(15)25-23(27)21-14-29-19-7-2-3-8-20(19)30-21/h2-8,10,12,21H,9,11,13-14H2,1H3,(H,25,27)
• InChIKey: ZWFMEMFYKJNTDS-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 42944711) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

What is the SMILES notation for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1c(NC(=O)C2COc3ccccc3O2)cccc1C(=O)N1CCc2sccc2C1.

What is the InChIKey of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The InChIKey is ZWFMEMFYKJNTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-15-17(24(28)26-11-9-22-16(13-26)10-12-31-22)5-4-6-18(15)25-23(27)21-14-29-19-7-2-3-8-20(19)30-21/h2-8,10,12,21H,9,11,13-14H2,1H3,(H,25,27).

What are the key properties of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 42944711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).