2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide

C23H30N2O3S — CID 133191722

About 2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide

2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide (PubChem CID 133191722) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
• PubChem CID: 133191722
• Molecular Formula: C23H30N2O3S
• Molecular Weight: 414.57 g/mol
• Exact Mass: 414.20
• IUPAC Name: 2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
• SMILES: CCC(NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C23H30N2O3S/c1-5-21(19-14-13-17-9-6-7-10-18(17)15-19)24-23(26)20-11-8-12-22(16(20)2)25(3)29(4,27)28/h8,11-15,21H,5-7,9-10H2,1-4H3,(H,24,26)
• InChIKey: HFZZFAOUYAPJRH-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.57
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide (CID 133191722) is 2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide.

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

The canonical SMILES for 2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide is CCC(NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc2c(c1)CCCC2.

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

The InChIKey is HFZZFAOUYAPJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-5-21(19-14-13-17-9-6-7-10-18(17)15-19)24-23(26)20-11-8-12-22(16(20)2)25(3)29(4,27)28/h8,11-15,21H,5-7,9-10H2,1-4H3,(H,24,26).

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

2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide has a molecular weight of 414.57 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide is sourced from PubChem (CID 133191722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).