N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide

C25H20N2O2S — CID 30707289

About N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide (PubChem CID 30707289) has the molecular formula C25H20N2O2S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
• PubChem CID: 30707289
• Molecular Formula: C25H20N2O2S
• Molecular Weight: 412.51 g/mol
• Exact Mass: 412.12
• IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
• SMILES: CCc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc4ccccc4c3)sc2c1
• InChI: InChI=1S/C25H20N2O2S/c1-2-17-9-12-22-23(14-17)30-25(26-22)27(16-21-8-5-13-29-21)24(28)20-11-10-18-6-3-4-7-19(18)15-20/h3-15H,2,16H2,1H3
• InChIKey: LPOLCLKSDAGNIZ-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.51
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?

The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide (CID 30707289) is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide.

What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?

The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide is CCc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc4ccccc4c3)sc2c1.

What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?

The InChIKey is LPOLCLKSDAGNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2S/c1-2-17-9-12-22-23(14-17)30-25(26-22)27(16-21-8-5-13-29-21)24(28)20-11-10-18-6-3-4-7-19(18)15-20/h3-15H,2,16H2,1H3.

What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide?

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 30707289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).