6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C30H35N5O6S2 — CID 4583163

About 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4583163) has the molecular formula C30H35N5O6S2 and a molecular weight of 625.77 g/mol. Its IUPAC name is 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 4583163
• Molecular Formula: C30H35N5O6S2
• Molecular Weight: 625.77 g/mol
• Exact Mass: 625.20
• IUPAC Name: 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CNC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)sc2c1CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C30H35N5O6S2/c1-19-15-35(16-20(2)41-19)43(39,40)23-11-9-22(10-12-23)27(36)32-29-26(28(37)33-30(38)31-3)24-13-14-34(18-25(24)42-29)17-21-7-5-4-6-8-21/h4-12,19-20H,13-18H2,1-3H3,(H,32,36)(H2,31,33,37,38)
• InChIKey: YKIWBVFLXAALLO-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 137.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.77
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4583163) is 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CNC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)sc2c1CCN(Cc1ccccc1)C2.

What is the InChIKey of 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is YKIWBVFLXAALLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O6S2/c1-19-15-35(16-20(2)41-19)43(39,40)23-11-9-22(10-12-23)27(36)32-29-26(28(37)33-30(38)31-3)24-13-14-34(18-25(24)42-29)17-21-7-5-4-6-8-21/h4-12,19-20H,13-18H2,1-3H3,(H,32,36)(H2,31,33,37,38).

What are the key properties of 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 625.77 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4583163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).