4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C21H17Cl2N3O2S — CID 155526147

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

4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155526147) has the molecular formula C21H17Cl2N3O2S and a molecular weight of 446.36 g/mol. Its IUPAC name is 4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• PubChem CID: 155526147
• Molecular Formula: C21H17Cl2N3O2S
• Molecular Weight: 446.36 g/mol
• Exact Mass: 445.04
• IUPAC Name: 4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• SMILES: NC(=O)c1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
• InChI: InChI=1S/C21H17Cl2N3O2S/c22-14-9-15(23)11-16(10-14)25-21(28)26-7-5-18-17(6-8-29-18)19(26)12-1-3-13(4-2-12)20(24)27/h1-4,6,8-11,19H,5,7H2,(H2,24,27)(H,25,28)
• InChIKey: QRMNWAFKNMZJQT-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 75.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.36
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155526147) is 4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

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

The canonical SMILES for 4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is NC(=O)c1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.

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

The InChIKey is QRMNWAFKNMZJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O2S/c22-14-9-15(23)11-16(10-14)25-21(28)26-7-5-18-17(6-8-29-18)19(26)12-1-3-13(4-2-12)20(24)27/h1-4,6,8-11,19H,5,7H2,(H2,24,27)(H,25,28).

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

4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 446.36 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-carbamoylphenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155526147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).