N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide

C36H45N3O3S — CID 11227202

About N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide

N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide (PubChem CID 11227202) has the molecular formula C36H45N3O3S and a molecular weight of 599.84 g/mol. Its IUPAC name is N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide
• PubChem CID: 11227202
• Molecular Formula: C36H45N3O3S
• Molecular Weight: 599.84 g/mol
• Exact Mass: 599.32
• IUPAC Name: N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide
• SMILES: Cc1cc(C)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2CC(=O)NC2CCCc3cc(CN4CCCCC4)ccc32)c(C)c1
• InChI: InChI=1S/C36H45N3O3S/c1-25-20-26(2)36(27(3)21-25)43(41,42)39-31(16-15-29-10-5-6-13-34(29)39)23-35(40)37-33-12-9-11-30-22-28(14-17-32(30)33)24-38-18-7-4-8-19-38/h5-6,10,13-14,17,20-22,31,33H,4,7-9,11-12,15-16,18-19,23-24H2,1-3H3,(H,37,40)/t31-,33?/m1/s1
• InChIKey: FFHPNWONDPWARZ-GWLFDFPQSA-N
• XLogP: 6.69
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.84
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide?

The IUPAC name of N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide (CID 11227202) is N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide.

What is the SMILES notation for N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide?

The canonical SMILES for N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide is Cc1cc(C)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2CC(=O)NC2CCCc3cc(CN4CCCCC4)ccc32)c(C)c1.

What is the InChIKey of N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide?

The InChIKey is FFHPNWONDPWARZ-GWLFDFPQSA-N. The full InChI is InChI=1S/C36H45N3O3S/c1-25-20-26(2)36(27(3)21-25)43(41,42)39-31(16-15-29-10-5-6-13-34(29)39)23-35(40)37-33-12-9-11-30-22-28(14-17-32(30)33)24-38-18-7-4-8-19-38/h5-6,10,13-14,17,20-22,31,33H,4,7-9,11-12,15-16,18-19,23-24H2,1-3H3,(H,37,40)/t31-,33?/m1/s1.

What are the key properties of N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide?

N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide has a molecular weight of 599.84 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide is sourced from PubChem (CID 11227202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).