3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

C24H23N3O3S2 — CID 4035348

About 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (PubChem CID 4035348) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
• PubChem CID: 4035348
• Molecular Formula: C24H23N3O3S2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.12
• IUPAC Name: 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
• SMILES: CC1CCc2c(sc(NC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)c2C#N)C1
• InChI: InChI=1S/C24H23N3O3S2/c1-16-10-11-20-21(14-25)24(31-22(20)12-16)27-23(28)18-8-5-9-19(13-18)32(29,30)26-15-17-6-3-2-4-7-17/h2-9,13,16,26H,10-12,15H2,1H3,(H,27,28)
• InChIKey: LFZYFCIBKFPASB-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 99.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?

The IUPAC name of 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (CID 4035348) is 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide.

What is the SMILES notation for 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?

The canonical SMILES for 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is CC1CCc2c(sc(NC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)c2C#N)C1.

What is the InChIKey of 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?

The InChIKey is LFZYFCIBKFPASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-16-10-11-20-21(14-25)24(31-22(20)12-16)27-23(28)18-8-5-9-19(13-18)32(29,30)26-15-17-6-3-2-4-7-17/h2-9,13,16,26H,10-12,15H2,1H3,(H,27,28).

What are the key properties of 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?

3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide has a molecular weight of 465.60 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzylsulfamoyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is sourced from PubChem (CID 4035348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).