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

C22H25N3O3S2 — CID 56558119

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

4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 56558119) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
• PubChem CID: 56558119
• Molecular Formula: C22H25N3O3S2
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.13
• IUPAC Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
• SMILES: Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)c1C
• InChI: InChI=1S/C22H25N3O3S2/c1-14(2)22-24-18(13-29-22)12-23-21(26)17-8-10-19(11-9-17)30(27,28)25-20-7-5-6-15(3)16(20)4/h5-11,13-14,25H,12H2,1-4H3,(H,23,26)
• InChIKey: DOWBECSPUQQQPF-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 56558119) is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

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

The canonical SMILES for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)c1C.

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

The InChIKey is DOWBECSPUQQQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-14(2)22-24-18(13-29-22)12-23-21(26)17-8-10-19(11-9-17)30(27,28)25-20-7-5-6-15(3)16(20)4/h5-11,13-14,25H,12H2,1-4H3,(H,23,26).

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

4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 443.59 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 56558119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).