3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide

C21H26N2O5S — CID 8751965

IUPAC3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C21H26N2O5S/c1-4-23(5-2)29(25,26)18-8-6-7-17(14-18)21(24)22(3)15-16-9-10-19-20(13-16)28-12-11-27-19/h6-10,13-14H,4-5,11-12,15H2,1-3H3
InChIKeyBNINXONCWUCHBC-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.76
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide

3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide (PubChem CID 8751965) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
PubChem CID8751965
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C21H26N2O5S/c1-4-23(5-2)29(25,26)18-8-6-7-17(14-18)21(24)22(3)15-16-9-10-19-20(13-16)28-12-11-27-19/h6-10,13-14H,4-5,11-12,15H2,1-3H3
InChIKeyBNINXONCWUCHBC-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-methylsulfonylbenzamide
CID 34763907
3-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 18082586
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24548619
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
N-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18280620
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55499228
3-(diethylsulfamoyl)-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 6591279
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125754

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide (CID 8751965) is 3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide?
The InChIKey is BNINXONCWUCHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-4-23(5-2)29(25,26)18-8-6-7-17(14-18)21(24)22(3)15-16-9-10-19-20(13-16)28-12-11-27-19/h6-10,13-14H,4-5,11-12,15H2,1-3H3.
What are the key properties of 3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide?
3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 8751965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).