2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide

C23H24N4O5S — CID 155432575

About 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide

2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide (PubChem CID 155432575) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
• PubChem CID: 155432575
• Molecular Formula: C23H24N4O5S
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.15
• IUPAC Name: 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
• SMILES: COc1ccc2c(c1S(=O)(=O)Nc1noc3cc(Cn4cccn4)cc(OC)c13)CCCC2
• InChI: InChI=1S/C23H24N4O5S/c1-30-18-9-8-16-6-3-4-7-17(16)22(18)33(28,29)26-23-21-19(31-2)12-15(13-20(21)32-25-23)14-27-11-5-10-24-27/h5,8-13H,3-4,6-7,14H2,1-2H3,(H,25,26)
• InChIKey: LTXGLTJTRWUTOU-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 108.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?

The IUPAC name of 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide (CID 155432575) is 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide.

What is the SMILES notation for 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?

The canonical SMILES for 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide is COc1ccc2c(c1S(=O)(=O)Nc1noc3cc(Cn4cccn4)cc(OC)c13)CCCC2.

What is the InChIKey of 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?

The InChIKey is LTXGLTJTRWUTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-30-18-9-8-16-6-3-4-7-17(16)22(18)33(28,29)26-23-21-19(31-2)12-15(13-20(21)32-25-23)14-27-11-5-10-24-27/h5,8-13H,3-4,6-7,14H2,1-2H3,(H,25,26).

What are the key properties of 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?

2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide has a molecular weight of 468.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide is sourced from PubChem (CID 155432575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).