4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide

C23H25N3O3S2 — CID 43947094

About 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide

4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide (PubChem CID 43947094) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
• PubChem CID: 43947094
• Molecular Formula: C23H25N3O3S2
• Molecular Weight: 455.61 g/mol
• Exact Mass: 455.13
• IUPAC Name: 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
• SMILES: CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1
• InChI: InChI=1S/C23H25N3O3S2/c1-16(2)26(15-17-7-4-3-5-8-17)31(28,29)19-13-11-18(12-14-19)22(27)25-23-24-20-9-6-10-21(20)30-23/h3-5,7-8,11-14,16H,6,9-10,15H2,1-2H3,(H,24,25,27)
• InChIKey: YIVMMGBSGVJJBO-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.61
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide?

The IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide (CID 43947094) is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide.

What is the SMILES notation for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide?

The canonical SMILES for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1.

What is the InChIKey of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide?

The InChIKey is YIVMMGBSGVJJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-16(2)26(15-17-7-4-3-5-8-17)31(28,29)19-13-11-18(12-14-19)22(27)25-23-24-20-9-6-10-21(20)30-23/h3-5,7-8,11-14,16H,6,9-10,15H2,1-2H3,(H,24,25,27).

What are the key properties of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide?

4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide has a molecular weight of 455.61 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 43947094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).