N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide

C22H19NO5S — CID 31618289

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2oc3c(ccc4ccccc43)c2C)c1
InChIInChI=1S/C22H19NO5S/c1-3-29(26,27)15-9-11-19(24)18(12-15)23-22(25)20-13(2)16-10-8-14-6-4-5-7-17(14)21(16)28-20/h4-12,24H,3H2,1-2H3,(H,23,25)
InChIKeyOFGOWBWOSZZZGE-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.65
Rot. Bonds4

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 31618289) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID31618289
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2oc3c(ccc4ccccc43)c2C)c1
InChIInChI=1S/C22H19NO5S/c1-3-29(26,27)15-9-11-19(24)18(12-15)23-22(25)20-13(2)16-10-8-14-6-4-5-7-17(14)21(16)28-20/h4-12,24H,3H2,1-2H3,(H,23,25)
InChIKeyOFGOWBWOSZZZGE-UHFFFAOYSA-N
XLogP4.65
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31618564
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
N-(2,5-dichlorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7899905
N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7929835
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
3-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 31618494
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 31618688
3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
CID 30550761
N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7920539
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
3-methyl-2-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]butanoic acid
CID 119348344

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (CID 31618289) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2oc3c(ccc4ccccc43)c2C)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is OFGOWBWOSZZZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5S/c1-3-29(26,27)15-9-11-19(24)18(12-15)23-22(25)20-13(2)16-10-8-14-6-4-5-7-17(14)21(16)28-20/h4-12,24H,3H2,1-2H3,(H,23,25).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 31618289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).