N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide

C18H20N2O6S — CID 19257841

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H20N2O6S/c1-3-19-27(22,23)13-5-7-15(24-2)14(11-13)18(21)20-12-4-6-16-17(10-12)26-9-8-25-16/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyODDMJRZCTRRNJP-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.02
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide (PubChem CID 19257841) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide
PubChem CID19257841
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H20N2O6S/c1-3-19-27(22,23)13-5-7-15(24-2)14(11-13)18(21)20-12-4-6-16-17(10-12)26-9-8-25-16/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyODDMJRZCTRRNJP-UHFFFAOYSA-N
XLogP2.02
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150068
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide
CID 46669494
5-(ethylsulfamoyl)-N-(2-fluorophenyl)-2-methoxybenzamide
CID 19257860
N-(5-acetamido-2-methoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 42112029
5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoate
CID 6980392
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46420748
5-(ethylsulfamoyl)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxybenzamide
CID 142410527
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
CID 19257901
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257784
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7510289

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide (CID 19257841) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide is CCNS(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide?
The InChIKey is ODDMJRZCTRRNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-3-19-27(22,23)13-5-7-15(24-2)14(11-13)18(21)20-12-4-6-16-17(10-12)26-9-8-25-16/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide has a molecular weight of 392.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide is sourced from PubChem (CID 19257841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).