N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

C21H21NO5S — CID 26722849

IUPACN-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1
InChIInChI=1S/C21H21NO5S/c1-28(24,25)16-6-4-5-14(11-16)22-21(23)13-26-15-9-10-20-18(12-15)17-7-2-3-8-19(17)27-20/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,22,23)
InChIKeyAKOUJJUMGYSXJW-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.73
Rot. Bonds5

About N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (PubChem CID 26722849) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
PubChem CID26722849
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC NameN-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1
InChIInChI=1S/C21H21NO5S/c1-28(24,25)16-6-4-5-14(11-16)22-21(23)13-26-15-9-10-20-18(12-15)17-7-2-3-8-19(17)27-20/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,22,23)
InChIKeyAKOUJJUMGYSXJW-UHFFFAOYSA-N
XLogP3.73
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 17390804
N-(4-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8840330
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8712821
N-(4-chloro-2-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 7914664
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate
CID 34073127
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55737258
N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
CID 9137794

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (CID 26722849) is N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is CS(=O)(=O)c1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The InChIKey is AKOUJJUMGYSXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-28(24,25)16-6-4-5-14(11-16)22-21(23)13-26-15-9-10-20-18(12-15)17-7-2-3-8-19(17)27-20/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,22,23).
What are the key properties of N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide has a molecular weight of 399.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is sourced from PubChem (CID 26722849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).