4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

C22H28N4O4S2 — CID 23732514

About 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 23732514) has the molecular formula C22H28N4O4S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 23732514
• Molecular Formula: C22H28N4O4S2
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.16
• IUPAC Name: 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• SMILES: CN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C(=O)N2CCCC2)C1
• InChI: InChI=1S/C22H28N4O4S2/c1-24(2)32(29,30)16-8-6-15(7-9-16)20(27)23-21-19(22(28)26-11-4-5-12-26)17-10-13-25(3)14-18(17)31-21/h6-9H,4-5,10-14H2,1-3H3,(H,23,27)
• InChIKey: CPWLPLYYHNLQLS-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The IUPAC name of 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 23732514) is 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The canonical SMILES for 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is CN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C(=O)N2CCCC2)C1.

What is the InChIKey of 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The InChIKey is CPWLPLYYHNLQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S2/c1-24(2)32(29,30)16-8-6-15(7-9-16)20(27)23-21-19(22(28)26-11-4-5-12-26)17-10-13-25(3)14-18(17)31-21/h6-9H,4-5,10-14H2,1-3H3,(H,23,27).

What are the key properties of 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 476.62 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 23732514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).