N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide

C21H21F2N3O4S2 — CID 29138157

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 29138157) has the molecular formula C21H21F2N3O4S2 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide
• PubChem CID: 29138157
• Molecular Formula: C21H21F2N3O4S2
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.09
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide
• SMILES: O=C(CS(=O)(=O)c1ccc(F)cc1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1
• InChI: InChI=1S/C21H21F2N3O4S2/c22-15-1-4-17(5-2-15)32(28,29)14-20(27)26(8-7-25-9-11-30-12-10-25)21-24-18-6-3-16(23)13-19(18)31-21/h1-6,13H,7-12,14H2
• InChIKey: MGMHGAXAOHFRTP-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 79.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide (CID 29138157) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide is O=C(CS(=O)(=O)c1ccc(F)cc1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide?

The InChIKey is MGMHGAXAOHFRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O4S2/c22-15-1-4-17(5-2-15)32(28,29)14-20(27)26(8-7-25-9-11-30-12-10-25)21-24-18-6-3-16(23)13-19(18)31-21/h1-6,13H,7-12,14H2.

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 481.55 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 29138157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).