2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide

C26H25FN2O4S — CID 60552907

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
SMILESCc1ccc2c(CC(=O)NCc3cccc(S(=O)(=O)NCc4cccc(F)c4)c3)coc2c1C
InChIInChI=1S/C26H25FN2O4S/c1-17-9-10-24-21(16-33-26(24)18(17)2)13-25(30)28-14-20-6-4-8-23(12-20)34(31,32)29-15-19-5-3-7-22(27)11-19/h3-12,16,29H,13-15H2,1-2H3,(H,28,30)
InChIKeyZYCVFPQELWODOB-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.53
Rot. Bonds8

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide (PubChem CID 60552907) has the molecular formula C26H25FN2O4S and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
PubChem CID60552907
Molecular FormulaC26H25FN2O4S
Molecular Weight480.56 g/mol
Exact Mass480.15
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
SMILESCc1ccc2c(CC(=O)NCc3cccc(S(=O)(=O)NCc4cccc(F)c4)c3)coc2c1C
InChIInChI=1S/C26H25FN2O4S/c1-17-9-10-24-21(16-33-26(24)18(17)2)13-25(30)28-14-20-6-4-8-23(12-20)34(31,32)29-15-19-5-3-7-22(27)11-19/h3-12,16,29H,13-15H2,1-2H3,(H,28,30)
InChIKeyZYCVFPQELWODOB-UHFFFAOYSA-N
XLogP4.53
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954134
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 119731455
2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
CID 55945767
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55946409
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 55946410
N-[(3-fluorophenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 46406821
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
CID 47067287
1-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942157
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9439235
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide (CID 60552907) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide is Cc1ccc2c(CC(=O)NCc3cccc(S(=O)(=O)NCc4cccc(F)c4)c3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
The InChIKey is ZYCVFPQELWODOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4S/c1-17-9-10-24-21(16-33-26(24)18(17)2)13-25(30)28-14-20-6-4-8-23(12-20)34(31,32)29-15-19-5-3-7-22(27)11-19/h3-12,16,29H,13-15H2,1-2H3,(H,28,30).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide has a molecular weight of 480.56 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 60552907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).