N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide

C21H25FN2O4S — CID 86950651

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 86950651) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide
• PubChem CID: 86950651
• Molecular Formula: C21H25FN2O4S
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.15
• IUPAC Name: N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide
• SMILES: CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCCc2ccc3c(c2)CCO3)c1
• InChI: InChI=1S/C21H25FN2O4S/c1-14(2)24(3)29(26,27)17-5-6-19(22)18(13-17)21(25)23-10-8-15-4-7-20-16(12-15)9-11-28-20/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)
• InChIKey: GPDSWDZZTNVALP-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide?

The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 86950651) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide.

What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide?

The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCCc2ccc3c(c2)CCO3)c1.

What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide?

The InChIKey is GPDSWDZZTNVALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-14(2)24(3)29(26,27)17-5-6-19(22)18(13-17)21(25)23-10-8-15-4-7-20-16(12-15)9-11-28-20/h4-7,12-14H,8-11H2,1-3H3,(H,23,25).

What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide?

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 86950651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).