N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide

C22H26FN3O4S2 — CID 166895860

About N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide

N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide (PubChem CID 166895860) has the molecular formula C22H26FN3O4S2 and a molecular weight of 479.60 g/mol. Its IUPAC name is N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

• Compound Name: N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide
• PubChem CID: 166895860
• Molecular Formula: C22H26FN3O4S2
• Molecular Weight: 479.60 g/mol
• Exact Mass: 479.13
• IUPAC Name: N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide
• SMILES: CC(C)c1c(F)c(C#N)cc2c1CC(NS(=O)(=O)c1nc(CO)c(C(C)(C)O)s1)=CC2C
• InChI: InChI=1S/C22H26FN3O4S2/c1-11(2)18-16-8-14(6-12(3)15(16)7-13(9-24)19(18)23)26-32(29,30)21-25-17(10-27)20(31-21)22(4,5)28/h6-7,11-12,26-28H,8,10H2,1-5H3
• InChIKey: HAZYYKYTGUWQLK-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 123.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.60
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide?

The IUPAC name of N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide (CID 166895860) is N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide.

What is the SMILES notation for N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide?

The canonical SMILES for N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide is CC(C)c1c(F)c(C#N)cc2c1CC(NS(=O)(=O)c1nc(CO)c(C(C)(C)O)s1)=CC2C.

What is the InChIKey of N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide?

The InChIKey is HAZYYKYTGUWQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4S2/c1-11(2)18-16-8-14(6-12(3)15(16)7-13(9-24)19(18)23)26-32(29,30)21-25-17(10-27)20(31-21)22(4,5)28/h6-7,11-12,26-28H,8,10H2,1-5H3.

What are the key properties of N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide?

N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide has a molecular weight of 479.60 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-cyano-7-fluoro-4-methyl-8-propan-2-yl-1,4-dihydronaphthalen-2-yl)-4-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 166895860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).