N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide

C25H25N3O6S2 — CID 44949111

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 44949111) has the molecular formula C25H25N3O6S2 and a molecular weight of 527.62 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

• Compound Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
• PubChem CID: 44949111
• Molecular Formula: C25H25N3O6S2
• Molecular Weight: 527.62 g/mol
• Exact Mass: 527.12
• IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
• SMILES: CCOc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1
• InChI: InChI=1S/C25H25N3O6S2/c1-2-33-19-7-10-22-23(16-19)35-25(26-22)28(17-20-4-3-13-34-20)24(29)18-5-8-21(9-6-18)36(30,31)27-11-14-32-15-12-27/h3-10,13,16H,2,11-12,14-15,17H2,1H3
• InChIKey: JHOLOXZJFJDYGL-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 102.18 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.62
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (CID 44949111) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.

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

The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is CCOc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1.

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

The InChIKey is JHOLOXZJFJDYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6S2/c1-2-33-19-7-10-22-23(16-19)35-25(26-22)28(17-20-4-3-13-34-20)24(29)18-5-8-21(9-6-18)36(30,31)27-11-14-32-15-12-27/h3-10,13,16H,2,11-12,14-15,17H2,1H3.

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 527.62 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 44949111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).