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

C27H36N2O3S — CID 133191404

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

2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide (PubChem CID 133191404) has the molecular formula C27H36N2O3S and a molecular weight of 468.66 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
• PubChem CID: 133191404
• Molecular Formula: C27H36N2O3S
• Molecular Weight: 468.66 g/mol
• Exact Mass: 468.24
• IUPAC Name: 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
• SMILES: CCC(NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C27H36N2O3S/c1-4-26(23-11-10-21-7-5-6-8-22(21)17-23)28-27(30)25-18-24(12-9-20(25)3)33(31,32)29-15-13-19(2)14-16-29/h9-12,17-19,26H,4-8,13-16H2,1-3H3,(H,28,30)
• InChIKey: ZTFAEDWFGDFNOT-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.66
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide (CID 133191404) is 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide.

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

The canonical SMILES for 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide is CCC(NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc2c(c1)CCCC2.

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

The InChIKey is ZTFAEDWFGDFNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3S/c1-4-26(23-11-10-21-7-5-6-8-22(21)17-23)28-27(30)25-18-24(12-9-20(25)3)33(31,32)29-15-13-19(2)14-16-29/h9-12,17-19,26H,4-8,13-16H2,1-3H3,(H,28,30).

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

2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide has a molecular weight of 468.66 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide is sourced from PubChem (CID 133191404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).