1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

C23H27N3O5S2 — CID 53106245

About 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide (PubChem CID 53106245) has the molecular formula C23H27N3O5S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
• PubChem CID: 53106245
• Molecular Formula: C23H27N3O5S2
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.14
• IUPAC Name: 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
• SMILES: CCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cc(C)ccc4OC)CC3)ccc21
• InChI: InChI=1S/C23H27N3O5S2/c1-4-26-19-7-6-17(14-21(19)32-23(26)28)33(29,30)25-11-9-16(10-12-25)22(27)24-18-13-15(2)5-8-20(18)31-3/h5-8,13-14,16H,4,9-12H2,1-3H3,(H,24,27)
• InChIKey: WFPMMHQNPVQYCU-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 97.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?

The IUPAC name of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide (CID 53106245) is 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide is CCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cc(C)ccc4OC)CC3)ccc21.

What is the InChIKey of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?

The InChIKey is WFPMMHQNPVQYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S2/c1-4-26-19-7-6-17(14-21(19)32-23(26)28)33(29,30)25-11-9-16(10-12-25)22(27)24-18-13-15(2)5-8-20(18)31-3/h5-8,13-14,16H,4,9-12H2,1-3H3,(H,24,27).

What are the key properties of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?

1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53106245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).