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

C29H40N4O4S2 — CID 23940879

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

4-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 23940879) has the molecular formula C29H40N4O4S2 and a molecular weight of 572.80 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 23940879
• Molecular Formula: C29H40N4O4S2
• Molecular Weight: 572.80 g/mol
• Exact Mass: 572.25
• IUPAC Name: 4-(4-methylpiperidin-1-yl)sulfonyl-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)N4CCC(C)CC4)cc3)c2C(=O)N2CCCCC2)C1
• InChI: InChI=1S/C29H40N4O4S2/c1-3-14-31-17-13-24-25(20-31)38-28(26(24)29(35)32-15-5-4-6-16-32)30-27(34)22-7-9-23(10-8-22)39(36,37)33-18-11-21(2)12-19-33/h7-10,21H,3-6,11-20H2,1-2H3,(H,30,34)
• InChIKey: MBCJUGUTJNILIC-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.80
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 23940879) is 4-(4-methylpiperidin-1-yl)sulfonyl-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-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-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)N4CCC(C)CC4)cc3)c2C(=O)N2CCCCC2)C1.

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

The InChIKey is MBCJUGUTJNILIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O4S2/c1-3-14-31-17-13-24-25(20-31)38-28(26(24)29(35)32-15-5-4-6-16-32)30-27(34)22-7-9-23(10-8-22)39(36,37)33-18-11-21(2)12-19-33/h7-10,21H,3-6,11-20H2,1-2H3,(H,30,34).

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

4-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 572.80 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 23940879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).