4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

C27H36N4O5S2 — CID 23770571

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

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 23770571) has the molecular formula C27H36N4O5S2 and a molecular weight of 560.74 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 23770571
• Molecular Formula: C27H36N4O5S2
• Molecular Weight: 560.74 g/mol
• Exact Mass: 560.21
• IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• SMILES: CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)N3CCOCC3)CCN(C)C4)cc2)C1
• InChI: InChI=1S/C27H36N4O5S2/c1-18-14-19(2)16-31(15-18)38(34,35)21-6-4-20(5-7-21)25(32)28-26-24(27(33)30-10-12-36-13-11-30)22-8-9-29(3)17-23(22)37-26/h4-7,18-19H,8-17H2,1-3H3,(H,28,32)
• InChIKey: QWGCAPJNCYIGBM-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.74
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 23770571) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

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

The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)N3CCOCC3)CCN(C)C4)cc2)C1.

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

The InChIKey is QWGCAPJNCYIGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5S2/c1-18-14-19(2)16-31(15-18)38(34,35)21-6-4-20(5-7-21)25(32)28-26-24(27(33)30-10-12-36-13-11-30)22-8-9-29(3)17-23(22)37-26/h4-7,18-19H,8-17H2,1-3H3,(H,28,32).

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

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 560.74 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 23770571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).