N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

C27H28N4O3S — CID 33301278

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 33301278) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
• PubChem CID: 33301278
• Molecular Formula: C27H28N4O3S
• Molecular Weight: 488.61 g/mol
• Exact Mass: 488.19
• IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
• SMILES: CCn1c(=O)n(CCC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c2ccccc21
• InChI: InChI=1S/C27H28N4O3S/c1-3-30-22-9-4-5-10-23(22)31(27(30)34)15-12-25(32)28-21-8-6-7-20(18(21)2)26(33)29-14-11-24-19(17-29)13-16-35-24/h4-10,13,16H,3,11-12,14-15,17H2,1-2H3,(H,28,32)
• InChIKey: QPTOHRCEUWHEGM-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 76.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.61
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (CID 33301278) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

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

The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is CCn1c(=O)n(CCC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c2ccccc21.

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

The InChIKey is QPTOHRCEUWHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-3-30-22-9-4-5-10-23(22)31(27(30)34)15-12-25(32)28-21-8-6-7-20(18(21)2)26(33)29-14-11-24-19(17-29)13-16-35-24/h4-10,13,16H,3,11-12,14-15,17H2,1-2H3,(H,28,32).

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

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 488.61 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 33301278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).