2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C26H22N4O4S — CID 18860730

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)cc2)n1
InChIInChI=1S/C26H22N4O4S/c1-16-13-17(2)28-26(27-16)30-35(32,33)21-10-8-20(9-11-21)29-24(31)14-19-15-34-23-12-7-18-5-3-4-6-22(18)25(19)23/h3-13,15H,14H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyCMVOGNHTNPISLA-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.97
Rot. Bonds6

About 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 18860730) has the molecular formula C26H22N4O4S and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID18860730
Molecular FormulaC26H22N4O4S
Molecular Weight486.55 g/mol
Exact Mass486.14
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)cc2)n1
InChIInChI=1S/C26H22N4O4S/c1-16-13-17(2)28-26(27-16)30-35(32,33)21-10-8-20(9-11-21)29-24(31)14-19-15-34-23-12-7-18-5-3-4-6-22(18)25(19)23/h3-13,15H,14H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyCMVOGNHTNPISLA-UHFFFAOYSA-N
XLogP4.97
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 18860924
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 18860774
2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 18860779
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
CID 16797044
2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 18860776
2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915193
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 4728274
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4289889
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
CID 34543248
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922400
2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 28580204
2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
CID 55727084

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 18860730) is 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)cc2)n1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is CMVOGNHTNPISLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4S/c1-16-13-17(2)28-26(27-16)30-35(32,33)21-10-8-20(9-11-21)29-24(31)14-19-15-34-23-12-7-18-5-3-4-6-22(18)25(19)23/h3-13,15H,14H2,1-2H3,(H,29,31)(H,27,28,30).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 486.55 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 18860730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).