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

C27H36N4O5S2 — CID 23762100

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

4-morpholin-4-ylsulfonyl-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 23762100) has the molecular formula C27H36N4O5S2 and a molecular weight of 560.74 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-morpholin-4-ylsulfonyl-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 23762100
• Molecular Formula: C27H36N4O5S2
• Molecular Weight: 560.74 g/mol
• Exact Mass: 560.21
• IUPAC Name: 4-morpholin-4-ylsulfonyl-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• SMILES: CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)N2CCCCC2)C1
• InChI: InChI=1S/C27H36N4O5S2/c1-19(2)30-13-10-22-23(18-30)37-26(24(22)27(33)29-11-4-3-5-12-29)28-25(32)20-6-8-21(9-7-20)38(34,35)31-14-16-36-17-15-31/h6-9,19H,3-5,10-18H2,1-2H3,(H,28,32)
• InChIKey: JBMHGAMLERKWCJ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.74
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 23762100) is 4-morpholin-4-ylsulfonyl-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

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

The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)N2CCCCC2)C1.

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

The InChIKey is JBMHGAMLERKWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5S2/c1-19(2)30-13-10-22-23(18-30)37-26(24(22)27(33)29-11-4-3-5-12-29)28-25(32)20-6-8-21(9-7-20)38(34,35)31-14-16-36-17-15-31/h6-9,19H,3-5,10-18H2,1-2H3,(H,28,32).

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

4-morpholin-4-ylsulfonyl-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 560.74 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-morpholin-4-ylsulfonyl-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 23762100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).