N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide

C20H24N2O7S — CID 24543766

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)ccc1OC
InChIInChI=1S/C20H24N2O7S/c1-26-8-7-22-30(24,25)19-12-15(4-6-17(19)27-2)20(23)21-13-14-3-5-16-18(11-14)29-10-9-28-16/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,21,23)
InChIKeyPUIYKHOCRJOECA-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.32
Rot. Bonds9

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 24543766) has the molecular formula C20H24N2O7S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID24543766
Molecular FormulaC20H24N2O7S
Molecular Weight436.49 g/mol
Exact Mass436.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)ccc1OC
InChIInChI=1S/C20H24N2O7S/c1-26-8-7-22-30(24,25)19-12-15(4-6-17(19)27-2)20(23)21-13-14-3-5-16-18(11-14)29-10-9-28-16/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,21,23)
InChIKeyPUIYKHOCRJOECA-UHFFFAOYSA-N
XLogP1.32
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methoxy-4-methylbenzamide
CID 27761365
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide
CID 110780516
1-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 10110663
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxybenzoic acid
CID 45413467
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38156799
N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617256
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 17496950
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
N-cyclopropyl-5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-2-methoxybenzenesulfonamide
CID 55455159

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide (CID 24543766) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)ccc1OC.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is PUIYKHOCRJOECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S/c1-26-8-7-22-30(24,25)19-12-15(4-6-17(19)27-2)20(23)21-13-14-3-5-16-18(11-14)29-10-9-28-16/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 436.49 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 24543766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).