ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate

C23H21NO5S — CID 171977289

IUPACethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c1cc(S(=O)(=O)Nc1ccc(C)cc1)c1ccccc12
InChIInChI=1S/C23H21NO5S/c1-4-28-23(25)21-15(3)29-22-18-8-6-5-7-17(18)20(13-19(21)22)30(26,27)24-16-11-9-14(2)10-12-16/h5-13,24H,4H2,1-3H3
InChIKeyILGCHQOVZBMCAA-UHFFFAOYSA-N
MW423.49 g/mol
LogP5.18
Rot. Bonds5

About ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate

ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate (PubChem CID 171977289) has the molecular formula C23H21NO5S and a molecular weight of 423.49 g/mol. Its IUPAC name is ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate
PubChem CID171977289
Molecular FormulaC23H21NO5S
Molecular Weight423.49 g/mol
Exact Mass423.11
IUPAC Nameethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c1cc(S(=O)(=O)Nc1ccc(C)cc1)c1ccccc12
InChIInChI=1S/C23H21NO5S/c1-4-28-23(25)21-15(3)29-22-18-8-6-5-7-17(18)20(13-19(21)22)30(26,27)24-16-11-9-14(2)10-12-16/h5-13,24H,4H2,1-3H3
InChIKeyILGCHQOVZBMCAA-UHFFFAOYSA-N
XLogP5.18
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 678599
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 5000421
ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
CID 1364614
methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
CID 2486172
heptyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 2486248
ethyl 7-chloro-2-methyl-5-(naphthalen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 4049549
ethyl 7-chloro-5-[(2,5-dibromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 25042342
ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 1490255
ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 869250
propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
CID 25043109
ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate
CID 83397358
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate (CID 171977289) is ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2c1cc(S(=O)(=O)Nc1ccc(C)cc1)c1ccccc12.
What is the InChIKey of ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate?
The InChIKey is ILGCHQOVZBMCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5S/c1-4-28-23(25)21-15(3)29-22-18-8-6-5-7-17(18)20(13-19(21)22)30(26,27)24-16-11-9-14(2)10-12-16/h5-13,24H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate?
ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 171977289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).