N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C18H25N3O3S2 — CID 38921105

About N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 38921105) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 38921105
• Molecular Formula: C18H25N3O3S2
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.13
• IUPAC Name: N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
• SMILES: CC(C)c1nc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cs1
• InChI: InChI=1S/C18H25N3O3S2/c1-12(2)18-20-15(11-25-18)10-17(22)19-14-6-8-16(9-7-14)26(23,24)21(5)13(3)4/h6-9,11-13H,10H2,1-5H3,(H,19,22)
• InChIKey: LTUJGZJDHCEUEM-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 38921105) is N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

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

The canonical SMILES for N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cs1.

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

The InChIKey is LTUJGZJDHCEUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-12(2)18-20-15(11-25-18)10-17(22)19-14-6-8-16(9-7-14)26(23,24)21(5)13(3)4/h6-9,11-13H,10H2,1-5H3,(H,19,22).

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

N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 38921105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).