2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C25H25FN2O4S — CID 43892808

About 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 43892808) has the molecular formula C25H25FN2O4S and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• PubChem CID: 43892808
• Molecular Formula: C25H25FN2O4S
• Molecular Weight: 468.55 g/mol
• Exact Mass: 468.15
• IUPAC Name: 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• SMILES: COc1ccc2c(c1)CCCC2NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C25H25FN2O4S/c1-32-19-14-15-21-18(16-19)8-7-12-23(21)27-25(29)17-28(24-13-6-5-11-22(24)26)33(30,31)20-9-3-2-4-10-20/h2-6,9-11,13-16,23H,7-8,12,17H2,1H3,(H,27,29)
• InChIKey: OGKAAARPNCQKIC-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.55
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 43892808) is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1ccc2c(c1)CCCC2NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The InChIKey is OGKAAARPNCQKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4S/c1-32-19-14-15-21-18(16-19)8-7-12-23(21)27-25(29)17-28(24-13-6-5-11-22(24)26)33(30,31)20-9-3-2-4-10-20/h2-6,9-11,13-16,23H,7-8,12,17H2,1H3,(H,27,29).

What are the key properties of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 468.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 43892808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).