3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide

C26H34N2O3S — CID 133191648

About 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide

3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide (PubChem CID 133191648) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
• PubChem CID: 133191648
• Molecular Formula: C26H34N2O3S
• Molecular Weight: 454.64 g/mol
• Exact Mass: 454.23
• IUPAC Name: 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
• SMILES: CCC(NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C26H34N2O3S/c1-3-25(22-12-11-20-7-4-5-8-21(20)17-22)27-26(29)23-9-6-10-24(18-23)32(30,31)28-15-13-19(2)14-16-28/h6,9-12,17-19,25H,3-5,7-8,13-16H2,1-2H3,(H,27,29)
• InChIKey: UPYQVADYRBZGSO-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.64
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide?

The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide (CID 133191648) is 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide.

What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide?

The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide is CCC(NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide?

The InChIKey is UPYQVADYRBZGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-3-25(22-12-11-20-7-4-5-8-21(20)17-22)27-26(29)23-9-6-10-24(18-23)32(30,31)28-15-13-19(2)14-16-28/h6,9-12,17-19,25H,3-5,7-8,13-16H2,1-2H3,(H,27,29).

What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide?

3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide has a molecular weight of 454.64 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide is sourced from PubChem (CID 133191648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).