2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide

C23H22N2O3S — CID 133244800

About 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide

2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 133244800) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

• Compound Name: 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
• PubChem CID: 133244800
• Molecular Formula: C23H22N2O3S
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.14
• IUPAC Name: 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
• SMILES: CC(Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C
• InChI: InChI=1S/C23H22N2O3S/c1-14(2)25-19-12-11-17(13-21(19)29-23(25)27)24-22(26)15(3)28-20-10-6-8-16-7-4-5-9-18(16)20/h4-15H,1-3H3,(H,24,26)
• InChIKey: MZPVOZTUFCGBJH-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.51
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide?

The IUPAC name of 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide (CID 133244800) is 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide.

What is the SMILES notation for 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide?

The canonical SMILES for 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide is CC(Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C.

What is the InChIKey of 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide?

The InChIKey is MZPVOZTUFCGBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-14(2)25-19-12-11-17(13-21(19)29-23(25)27)24-22(26)15(3)28-20-10-6-8-16-7-4-5-9-18(16)20/h4-15H,1-3H3,(H,24,26).

What are the key properties of 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide?

2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 406.51 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 133244800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).