N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

C27H27N3O3S2 — CID 41364379

About N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41364379) has the molecular formula C27H27N3O3S2 and a molecular weight of 505.67 g/mol. Its IUPAC name is N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 41364379
• Molecular Formula: C27H27N3O3S2
• Molecular Weight: 505.67 g/mol
• Exact Mass: 505.15
• IUPAC Name: N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
• SMILES: CCc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)sc2c1
• InChI: InChI=1S/C27H27N3O3S2/c1-3-19-9-16-24-25(17-19)34-27(28-24)30(18-20-7-5-4-6-8-20)26(31)21-10-14-23(15-11-21)35(32,33)29(2)22-12-13-22/h4-11,14-17,22H,3,12-13,18H2,1-2H3
• InChIKey: VPKDHNWUACOPOX-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 70.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.67
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide (CID 41364379) is N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide is CCc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)sc2c1.

What is the InChIKey of N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is VPKDHNWUACOPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S2/c1-3-19-9-16-24-25(17-19)34-27(28-24)30(18-20-7-5-4-6-8-20)26(31)21-10-14-23(15-11-21)35(32,33)29(2)22-12-13-22/h4-11,14-17,22H,3,12-13,18H2,1-2H3.

What are the key properties of N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?

N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 505.67 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41364379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).