N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

C22H24N2O5S — CID 17390804

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1
InChIInChI=1S/C22H24N2O5S/c1-24(2)30(26,27)17-7-5-6-15(12-17)23-22(25)14-28-16-10-11-21-19(13-16)18-8-3-4-9-20(18)29-21/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,23,25)
InChIKeyHEJKJQYUQMUTSU-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.58
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (PubChem CID 17390804) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
PubChem CID17390804
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1
InChIInChI=1S/C22H24N2O5S/c1-24(2)30(26,27)17-7-5-6-15(12-17)23-22(25)14-28-16-10-11-21-19(13-16)18-8-3-4-9-20(18)29-21/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,23,25)
InChIKeyHEJKJQYUQMUTSU-UHFFFAOYSA-N
XLogP3.58
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 26722849
N-(4-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8840330
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
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-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
CID 35986913
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
N-(4-chloro-2-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 7914664
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4884299
methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate
CID 34073127

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (CID 17390804) is N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The InChIKey is HEJKJQYUQMUTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-24(2)30(26,27)17-7-5-6-15(12-17)23-22(25)14-28-16-10-11-21-19(13-16)18-8-3-4-9-20(18)29-21/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide has a molecular weight of 428.51 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is sourced from PubChem (CID 17390804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).