N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide

C28H25N3O4S — CID 43967073

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide (PubChem CID 43967073) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
• PubChem CID: 43967073
• Molecular Formula: C28H25N3O4S
• Molecular Weight: 499.59 g/mol
• Exact Mass: 499.16
• IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
• SMILES: CCOc1ccc2ccccc2c1C(=O)N(Cc1cccnc1)c1nc2c(OC)ccc(OC)c2s1
• InChI: InChI=1S/C28H25N3O4S/c1-4-35-21-12-11-19-9-5-6-10-20(19)24(21)27(32)31(17-18-8-7-15-29-16-18)28-30-25-22(33-2)13-14-23(34-3)26(25)36-28/h5-16H,4,17H2,1-3H3
• InChIKey: BOHWKXFDOLAFOZ-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 73.78 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.59
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?

The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide (CID 43967073) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide.

What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?

The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)N(Cc1cccnc1)c1nc2c(OC)ccc(OC)c2s1.

What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?

The InChIKey is BOHWKXFDOLAFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-4-35-21-12-11-19-9-5-6-10-20(19)24(21)27(32)31(17-18-8-7-15-29-16-18)28-30-25-22(33-2)13-14-23(34-3)26(25)36-28/h5-16H,4,17H2,1-3H3.

What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 6.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 43967073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).