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

C23H22Cl2N2OS — CID 155520123

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

N-(3,5-dichlorophenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155520123) has the molecular formula C23H22Cl2N2OS and a molecular weight of 445.42 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3,5-dichlorophenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• PubChem CID: 155520123
• Molecular Formula: C23H22Cl2N2OS
• Molecular Weight: 445.42 g/mol
• Exact Mass: 444.08
• IUPAC Name: N-(3,5-dichlorophenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• SMILES: CC(C)c1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
• InChI: InChI=1S/C23H22Cl2N2OS/c1-14(2)15-3-5-16(6-4-15)22-20-8-10-29-21(20)7-9-27(22)23(28)26-19-12-17(24)11-18(25)13-19/h3-6,8,10-14,22H,7,9H2,1-2H3,(H,26,28)
• InChIKey: QVCVYPTWFIJYFA-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.42
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dichlorophenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155520123) is N-(3,5-dichlorophenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

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

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

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

The InChIKey is QVCVYPTWFIJYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2OS/c1-14(2)15-3-5-16(6-4-15)22-20-8-10-29-21(20)7-9-27(22)23(28)26-19-12-17(24)11-18(25)13-19/h3-6,8,10-14,22H,7,9H2,1-2H3,(H,26,28).

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

N-(3,5-dichlorophenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 445.42 g/mol, XLogP of 7.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichlorophenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155520123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).