4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

C24H23N3O4S2 — CID 100554168

About 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 100554168) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

• Compound Name: 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
• PubChem CID: 100554168
• Molecular Formula: C24H23N3O4S2
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.11
• IUPAC Name: 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
• SMILES: Cc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C24H23N3O4S2/c1-15(2)27-21-12-10-18(14-22(21)32-24(27)29)25-23(28)17-9-11-20(16(3)13-17)26-33(30,31)19-7-5-4-6-8-19/h4-15,26H,1-3H3,(H,25,28)
• InChIKey: GVUSXIRTZHLOPE-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 97.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?

The IUPAC name of 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (CID 100554168) is 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.

What is the SMILES notation for 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?

The canonical SMILES for 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is Cc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1NS(=O)(=O)c1ccccc1.

What is the InChIKey of 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?

The InChIKey is GVUSXIRTZHLOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-15(2)27-21-12-10-18(14-22(21)32-24(27)29)25-23(28)17-9-11-20(16(3)13-17)26-33(30,31)19-7-5-4-6-8-19/h4-15,26H,1-3H3,(H,25,28).

What are the key properties of 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?

4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 481.60 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzenesulfonamido)-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 100554168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).