N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C21H22FN3O3S2 — CID 26291645

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 26291645) has the molecular formula C21H22FN3O3S2 and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
• PubChem CID: 26291645
• Molecular Formula: C21H22FN3O3S2
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.11
• IUPAC Name: N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
• SMILES: Cc1sc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)nc1-c1ccc(F)cc1
• InChI: InChI=1S/C21H22FN3O3S2/c1-13(2)25(4)30(27,28)18-7-5-6-16(12-18)20(26)24-21-23-19(14(3)29-21)15-8-10-17(22)11-9-15/h5-13H,1-4H3,(H,23,24,26)
• InChIKey: ABXWPZJYBMIDMH-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 26291645) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is Cc1sc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)nc1-c1ccc(F)cc1.

What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

The InChIKey is ABXWPZJYBMIDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S2/c1-13(2)25(4)30(27,28)18-7-5-6-16(12-18)20(26)24-21-23-19(14(3)29-21)15-8-10-17(22)11-9-15/h5-13H,1-4H3,(H,23,24,26).

What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 26291645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).