N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide

C20H20FN3O3S2 — CID 37149211

About N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 37149211) has the molecular formula C20H20FN3O3S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

• Compound Name: N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide
• PubChem CID: 37149211
• Molecular Formula: C20H20FN3O3S2
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.09
• IUPAC Name: N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide
• SMILES: CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c1
• InChI: InChI=1S/C20H20FN3O3S2/c1-12-5-7-16(29(26,27)22-3)10-17(12)19(25)24-20-23-11-15(28-20)8-14-6-4-13(2)18(21)9-14/h4-7,9-11,22H,8H2,1-3H3,(H,23,24,25)
• InChIKey: GXXLAWIIBSJYTR-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide?

The IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide (CID 37149211) is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide.

What is the SMILES notation for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide?

The canonical SMILES for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c1.

What is the InChIKey of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide?

The InChIKey is GXXLAWIIBSJYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S2/c1-12-5-7-16(29(26,27)22-3)10-17(12)19(25)24-20-23-11-15(28-20)8-14-6-4-13(2)18(21)9-14/h4-7,9-11,22H,8H2,1-3H3,(H,23,24,25).

What are the key properties of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide?

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 433.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 37149211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).