5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide

C32H33NO5S — CID 59751453

About 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide

5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide (PubChem CID 59751453) has the molecular formula C32H33NO5S and a molecular weight of 543.69 g/mol. Its IUPAC name is 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide.

Molecular Properties

• Compound Name: 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide
• PubChem CID: 59751453
• Molecular Formula: C32H33NO5S
• Molecular Weight: 543.69 g/mol
• Exact Mass: 543.21
• IUPAC Name: 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide
• SMILES: COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc4c(c3)CS(=O)(=O)C4)ccc2c1
• InChI: InChI=1S/C32H33NO5S/c1-36-29-12-14-31-24(20-29)7-13-30(23-5-6-25-21-39(34,35)22-26(25)19-23)32(31)38-28-10-8-27(9-11-28)37-18-17-33-15-3-2-4-16-33/h5-14,19-20H,2-4,15-18,21-22H2,1H3
• InChIKey: NCOKCCOKGMUWOC-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 65.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.69
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide?

The IUPAC name of 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide (CID 59751453) is 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide.

What is the SMILES notation for 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide?

The canonical SMILES for 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide is COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc4c(c3)CS(=O)(=O)C4)ccc2c1.

What is the InChIKey of 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide?

The InChIKey is NCOKCCOKGMUWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO5S/c1-36-29-12-14-31-24(20-29)7-13-30(23-5-6-25-21-39(34,35)22-26(25)19-23)32(31)38-28-10-8-27(9-11-28)37-18-17-33-15-3-2-4-16-33/h5-14,19-20H,2-4,15-18,21-22H2,1H3.

What are the key properties of 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide?

5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide has a molecular weight of 543.69 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide is sourced from PubChem (CID 59751453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).