N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide

C23H26N4O4S2 — CID 166748243

About N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide (PubChem CID 166748243) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide
• PubChem CID: 166748243
• Molecular Formula: C23H26N4O4S2
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.14
• IUPAC Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide
• SMILES: COc1ncc(NC(=O)c2csc3c2CN(C)CC3)cc1S(=O)(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C23H26N4O4S2/c1-14-6-5-7-15(2)21(14)26-33(29,30)20-10-16(11-24-23(20)31-4)25-22(28)18-13-32-19-8-9-27(3)12-17(18)19/h5-7,10-11,13,26H,8-9,12H2,1-4H3,(H,25,28)
• InChIKey: UBUFOYWIPNNMFR-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide (CID 166748243) is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide is COc1ncc(NC(=O)c2csc3c2CN(C)CC3)cc1S(=O)(=O)Nc1c(C)cccc1C.

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

The InChIKey is UBUFOYWIPNNMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c1-14-6-5-7-15(2)21(14)26-33(29,30)20-10-16(11-24-23(20)31-4)25-22(28)18-13-32-19-8-9-27(3)12-17(18)19/h5-7,10-11,13,26H,8-9,12H2,1-4H3,(H,25,28).

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

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 166748243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).