N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

C26H26N4O4S2 — CID 16831092

About N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 16831092) has the molecular formula C26H26N4O4S2 and a molecular weight of 522.65 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 16831092
• Molecular Formula: C26H26N4O4S2
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.14
• IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
• SMILES: CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12
• InChI: InChI=1S/C26H26N4O4S2/c1-2-19-6-5-8-23-24(19)28-26(35-23)30(18-21-7-3-4-13-27-21)25(31)20-9-11-22(12-10-20)36(32,33)29-14-16-34-17-15-29/h3-13H,2,14-18H2,1H3
• InChIKey: QIAQGSIOIOWWTO-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 92.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (CID 16831092) is N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12.

What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is QIAQGSIOIOWWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S2/c1-2-19-6-5-8-23-24(19)28-26(35-23)30(18-21-7-3-4-13-27-21)25(31)20-9-11-22(12-10-20)36(32,33)29-14-16-34-17-15-29/h3-13H,2,14-18H2,1H3.

What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?

N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 522.65 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 16831092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).