N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide

C20H24N2O6S — CID 96528515

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC[C@@H]3O)c1
InChIInChI=1S/C20H24N2O6S/c1-3-22(4-2)29(25,26)16-7-5-6-14(10-16)21-20(24)13-27-15-8-9-17-18(23)12-28-19(17)11-15/h5-11,18,23H,3-4,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyFLIRWJFGAVFXIL-SFHVURJKSA-N
MW420.49 g/mol
LogP2.16
Rot. Bonds8

About N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide (PubChem CID 96528515) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
PubChem CID96528515
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC[C@@H]3O)c1
InChIInChI=1S/C20H24N2O6S/c1-3-22(4-2)29(25,26)16-7-5-6-14(10-16)21-20(24)13-27-15-8-9-17-18(23)12-28-19(17)11-15/h5-11,18,23H,3-4,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyFLIRWJFGAVFXIL-SFHVURJKSA-N
XLogP2.16
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide with MolForge

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534227
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
(3S)-N-[3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7760069
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
CID 35986913
N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 95973166
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55603366
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide (CID 96528515) is N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC[C@@H]3O)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
The InChIKey is FLIRWJFGAVFXIL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-3-22(4-2)29(25,26)16-7-5-6-14(10-16)21-20(24)13-27-15-8-9-17-18(23)12-28-19(17)11-15/h5-11,18,23H,3-4,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide is sourced from PubChem (CID 96528515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).