2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C26H27FN2O4S — CID 30131498

About 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 30131498) has the molecular formula C26H27FN2O4S and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• PubChem CID: 30131498
• Molecular Formula: C26H27FN2O4S
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.17
• IUPAC Name: 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• SMILES: CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1
• InChI: InChI=1S/C26H27FN2O4S/c1-34(31,32)29(17-20-8-3-5-11-24(20)27)21-13-15-22(16-14-21)33-18-26(30)28-25-12-6-9-19-7-2-4-10-23(19)25/h2-5,7-8,10-11,13-16,25H,6,9,12,17-18H2,1H3,(H,28,30)/t25-/m1/s1
• InChIKey: BXIMDHOVQHQSJJ-RUZDIDTESA-N
• XLogP: 4.36
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The IUPAC name of 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 30131498) is 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1.

What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The InChIKey is BXIMDHOVQHQSJJ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H27FN2O4S/c1-34(31,32)29(17-20-8-3-5-11-24(20)27)21-13-15-22(16-14-21)33-18-26(30)28-25-12-6-9-19-7-2-4-10-23(19)25/h2-5,7-8,10-11,13-16,25H,6,9,12,17-18H2,1H3,(H,28,30)/t25-/m1/s1.

What are the key properties of 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 482.58 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 30131498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).