N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide

C26H27N3O4S2 — CID 30707028

About N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 30707028) has the molecular formula C26H27N3O4S2 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

• Compound Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide
• PubChem CID: 30707028
• Molecular Formula: C26H27N3O4S2
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.14
• IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide
• SMILES: CCc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2c1
• InChI: InChI=1S/C26H27N3O4S2/c1-2-19-8-13-23-24(17-19)34-26(27-23)29(18-21-7-6-16-33-21)25(30)20-9-11-22(12-10-20)35(31,32)28-14-4-3-5-15-28/h6-13,16-17H,2-5,14-15,18H2,1H3
• InChIKey: VQSDDSYRJWNLLN-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide?

The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide (CID 30707028) is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide.

What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide?

The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide is CCc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2c1.

What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide?

The InChIKey is VQSDDSYRJWNLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S2/c1-2-19-8-13-23-24(17-19)34-26(27-23)29(18-21-7-6-16-33-21)25(30)20-9-11-22(12-10-20)35(31,32)28-14-4-3-5-15-28/h6-13,16-17H,2-5,14-15,18H2,1H3.

What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide?

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 509.65 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 30707028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).