4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide

C22H22N4O3S3 — CID 43947317

About 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide

4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide (PubChem CID 43947317) has the molecular formula C22H22N4O3S3 and a molecular weight of 486.64 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
• PubChem CID: 43947317
• Molecular Formula: C22H22N4O3S3
• Molecular Weight: 486.64 g/mol
• Exact Mass: 486.09
• IUPAC Name: 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
• SMILES: Cc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C5CCCC5)cc4)sc32)s1
• InChI: InChI=1S/C22H22N4O3S3/c1-13-23-19-18(30-13)12-11-17-20(19)31-22(24-17)25-21(27)14-7-9-16(10-8-14)32(28,29)26(2)15-5-3-4-6-15/h7-12,15H,3-6H2,1-2H3,(H,24,25,27)
• InChIKey: DCXJYOCKFMMPJE-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.64
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?

The IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide (CID 43947317) is 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide.

What is the SMILES notation for 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?

The canonical SMILES for 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide is Cc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C5CCCC5)cc4)sc32)s1.

What is the InChIKey of 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?

The InChIKey is DCXJYOCKFMMPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S3/c1-13-23-19-18(30-13)12-11-17-20(19)31-22(24-17)25-21(27)14-7-9-16(10-8-14)32(28,29)26(2)15-5-3-4-6-15/h7-12,15H,3-6H2,1-2H3,(H,24,25,27).

What are the key properties of 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?

4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 486.64 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 43947317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).