N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide

C20H24N2O6S — CID 24534227

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H24N2O6S/c1-3-22(4-2)29(24,25)17-7-5-6-15(12-17)21-20(23)14-28-16-8-9-18-19(13-16)27-11-10-26-18/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,21,23)
InChIKeyHURDGKXRQIHSMR-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.51
Rot. Bonds8

About N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide (PubChem CID 24534227) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
PubChem CID24534227
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H24N2O6S/c1-3-22(4-2)29(24,25)17-7-5-6-15(12-17)21-20(23)14-28-16-8-9-18-19(13-16)27-11-10-26-18/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,21,23)
InChIKeyHURDGKXRQIHSMR-UHFFFAOYSA-N
XLogP2.51
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 96528515
N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 17396613
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 4857585
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24582149
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide
CID 29454663
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24582148
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(3-methylphenoxy)acetamide
CID 46520435

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide (CID 24534227) is N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
The InChIKey is HURDGKXRQIHSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-3-22(4-2)29(24,25)17-7-5-6-15(12-17)21-20(23)14-28-16-8-9-18-19(13-16)27-11-10-26-18/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide is sourced from PubChem (CID 24534227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).