4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

C21H23N3O4S2 — CID 41364257

About 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 41364257) has the molecular formula C21H23N3O4S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 41364257
• Molecular Formula: C21H23N3O4S2
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.11
• IUPAC Name: 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: COc1ccc(C)c2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)n(C)c12
• InChI: InChI=1S/C21H23N3O4S2/c1-13-5-12-17(28-4)18-19(13)29-21(23(18)2)22-20(25)14-6-10-16(11-7-14)30(26,27)24(3)15-8-9-15/h5-7,10-12,15H,8-9H2,1-4H3/b22-21-
• InChIKey: DTFIHYKIMAIHKH-DQRAZIAOSA-N
• XLogP: 3.08
• TPSA: 80.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?

The IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 41364257) is 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.

What is the SMILES notation for 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?

The canonical SMILES for 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is COc1ccc(C)c2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)n(C)c12.

What is the InChIKey of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?

The InChIKey is DTFIHYKIMAIHKH-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H23N3O4S2/c1-13-5-12-17(28-4)18-19(13)29-21(23(18)2)22-20(25)14-6-10-16(11-7-14)30(26,27)24(3)15-8-9-15/h5-7,10-12,15H,8-9H2,1-4H3/b22-21-.

What are the key properties of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?

4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 445.57 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 41364257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).