4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide

C21H26N2O5S — CID 43009629

IUPAC4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)CC2COc3ccccc3O2)cc1
InChIInChI=1S/C21H26N2O5S/c1-4-23(5-2)29(25,26)18-12-10-16(11-13-18)21(24)22(3)14-17-15-27-19-8-6-7-9-20(19)28-17/h6-13,17H,4-5,14-15H2,1-3H3
InChIKeyKACOWDUSOTUBEI-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.63
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide

4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide (PubChem CID 43009629) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
PubChem CID43009629
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)CC2COc3ccccc3O2)cc1
InChIInChI=1S/C21H26N2O5S/c1-4-23(5-2)29(25,26)18-12-10-16(11-13-18)21(24)22(3)14-17-15-27-19-8-6-7-9-20(19)28-17/h6-13,17H,4-5,14-15H2,1-3H3
InChIKeyKACOWDUSOTUBEI-UHFFFAOYSA-N
XLogP2.63
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylbenzamide
CID 31978663
[4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 43009573
ethyl 4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)sulfamoyl]benzoate
CID 55352502
4-[4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)carbamoyl]phenoxy]benzamide
CID 56545178
4-(difluoromethoxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylbenzamide
CID 31975786
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413957
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 31984715
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 40633418
5-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 125149975
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide
CID 55684847
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N,4-dimethylbenzamide
CID 51230534

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide (CID 43009629) is 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)CC2COc3ccccc3O2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide?
The InChIKey is KACOWDUSOTUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-4-23(5-2)29(25,26)18-12-10-16(11-13-18)21(24)22(3)14-17-15-27-19-8-6-7-9-20(19)28-17/h6-13,17H,4-5,14-15H2,1-3H3.
What are the key properties of 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide?
4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 43009629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).