N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide

C22H23N3O4S — CID 10180764

About N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide

N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide (PubChem CID 10180764) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide
• PubChem CID: 10180764
• Molecular Formula: C22H23N3O4S
• Molecular Weight: 425.51 g/mol
• Exact Mass: 425.14
• IUPAC Name: N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1c(OC(Cn2ccnc2)c2ccccc2)ccc2c1CCCC2=O
• InChI: InChI=1S/C22H23N3O4S/c1-30(27,28)24-22-18-8-5-9-19(26)17(18)10-11-20(22)29-21(14-25-13-12-23-15-25)16-6-3-2-4-7-16/h2-4,6-7,10-13,15,21,24H,5,8-9,14H2,1H3
• InChIKey: LSAMRDBQKQXIIJ-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 90.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.51
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide?

The IUPAC name of N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide (CID 10180764) is N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide.

What is the SMILES notation for N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide?

The canonical SMILES for N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide is CS(=O)(=O)Nc1c(OC(Cn2ccnc2)c2ccccc2)ccc2c1CCCC2=O.

What is the InChIKey of N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide?

The InChIKey is LSAMRDBQKQXIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-30(27,28)24-22-18-8-5-9-19(26)17(18)10-11-20(22)29-21(14-25-13-12-23-15-25)16-6-3-2-4-7-16/h2-4,6-7,10-13,15,21,24H,5,8-9,14H2,1H3.

What are the key properties of N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide?

N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide has a molecular weight of 425.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methanesulfonamide is sourced from PubChem (CID 10180764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).