N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H24N2O6S — CID 3162267

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C20H24N2O6S/c1-4-22(5-2)29(24,25)14-10-11-16(26-3)15(12-14)21-20(23)19-13-27-17-8-6-7-9-18(17)28-19/h6-12,19H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyOJTZXWHQKHZTTJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.50
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 3162267) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID3162267
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C20H24N2O6S/c1-4-22(5-2)29(24,25)14-10-11-16(26-3)15(12-14)21-20(23)19-13-27-17-8-6-7-9-18(17)28-19/h6-12,19H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyOJTZXWHQKHZTTJ-UHFFFAOYSA-N
XLogP2.50
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1090883
(3S)-N-[3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7760069
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55414222
(3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 857312
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43029791
(3S)-N'-(3-bromo-4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2697098
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55465611
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 3162267) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2COc3ccccc3O2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is OJTZXWHQKHZTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-22(5-2)29(24,25)14-10-11-16(26-3)15(12-14)21-20(23)19-13-27-17-8-6-7-9-18(17)28-19/h6-12,19H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 3162267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).