4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

C27H38N4O6S2 — CID 43951316

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 43951316) has the molecular formula C27H38N4O6S2 and a molecular weight of 578.76 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 43951316
• Molecular Formula: C27H38N4O6S2
• Molecular Weight: 578.76 g/mol
• Exact Mass: 578.22
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• SMILES: COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCN(C)C3)cc1
• InChI: InChI=1S/C27H38N4O6S2/c1-29-14-11-22-23(19-29)38-26(24(22)27(33)30-12-5-4-6-13-30)28-25(32)20-7-9-21(10-8-20)39(34,35)31(15-17-36-2)16-18-37-3/h7-10H,4-6,11-19H2,1-3H3,(H,28,32)
• InChIKey: RCGQVZRVYJKUSX-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 108.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.76
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 43951316) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

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

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCN(C)C3)cc1.

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

The InChIKey is RCGQVZRVYJKUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O6S2/c1-29-14-11-22-23(19-29)38-26(24(22)27(33)30-12-5-4-6-13-30)28-25(32)20-7-9-21(10-8-20)39(34,35)31(15-17-36-2)16-18-37-3/h7-10H,4-6,11-19H2,1-3H3,(H,28,32).

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 578.76 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 43951316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).