4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

C29H42N4O4S2 — CID 23968037

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

4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 23968037) has the molecular formula C29H42N4O4S2 and a molecular weight of 574.81 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 23968037
• Molecular Formula: C29H42N4O4S2
• Molecular Weight: 574.81 g/mol
• Exact Mass: 574.26
• IUPAC Name: 4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• SMILES: CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCC)CCC)cc3)c2C(=O)N2CCCCC2)C1
• InChI: InChI=1S/C29H42N4O4S2/c1-4-15-31-20-14-24-25(21-31)38-28(26(24)29(35)32-18-8-7-9-19-32)30-27(34)22-10-12-23(13-11-22)39(36,37)33(16-5-2)17-6-3/h10-13H,4-9,14-21H2,1-3H3,(H,30,34)
• InChIKey: BHWJYUOCNGHESP-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.81
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 23968037) is 4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

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

The canonical SMILES for 4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCC)CCC)cc3)c2C(=O)N2CCCCC2)C1.

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

The InChIKey is BHWJYUOCNGHESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O4S2/c1-4-15-31-20-14-24-25(21-31)38-28(26(24)29(35)32-18-8-7-9-19-32)30-27(34)22-10-12-23(13-11-22)39(36,37)33(16-5-2)17-6-3/h10-13H,4-9,14-21H2,1-3H3,(H,30,34).

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

4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 574.81 g/mol, XLogP of 5.21, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 23968037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).