(4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C15H13Cl3N2OS — CID 6975463

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

(4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 6975463) has the molecular formula C15H13Cl3N2OS and a molecular weight of 375.71 g/mol. Its IUPAC name is (4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: (4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• PubChem CID: 6975463
• Molecular Formula: C15H13Cl3N2OS
• Molecular Weight: 375.71 g/mol
• Exact Mass: 373.98
• IUPAC Name: (4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• SMILES: C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Cl)c(Cl)c1Cl
• InChI: InChI=1S/C15H13Cl3N2OS/c1-8-9-5-7-22-12(9)4-6-20(8)15(21)19-11-3-2-10(16)13(17)14(11)18/h2-3,5,7-8H,4,6H2,1H3,(H,19,21)/t8-/m0/s1
• InChIKey: NSVNPHVUMMDNDD-QMMMGPOBSA-N
• XLogP: 5.86
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.71
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 6975463) is (4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

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

The canonical SMILES for (4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Cl)c(Cl)c1Cl.

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

The InChIKey is NSVNPHVUMMDNDD-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H13Cl3N2OS/c1-8-9-5-7-22-12(9)4-6-20(8)15(21)19-11-3-2-10(16)13(17)14(11)18/h2-3,5,7-8H,4,6H2,1H3,(H,19,21)/t8-/m0/s1.

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

(4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 375.71 g/mol, XLogP of 5.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 6975463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).