N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide

C19H22N2O7S — CID 30149167

IUPACN-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
SMILESCCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C19H22N2O7S/c1-5-21(29(4,23)24)14-10-17(26-3)16(25-2)9-13(14)19(22)20-12-6-7-15-18(8-12)28-11-27-15/h6-10H,5,11H2,1-4H3,(H,20,22)
InChIKeySKHRJCSGFBKHEG-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.47
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide

N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide (PubChem CID 30149167) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
PubChem CID30149167
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
SMILESCCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C19H22N2O7S/c1-5-21(29(4,23)24)14-10-17(26-3)16(25-2)9-13(14)19(22)20-12-6-7-15-18(8-12)28-11-27-15/h6-10H,5,11H2,1-4H3,(H,20,22)
InChIKeySKHRJCSGFBKHEG-UHFFFAOYSA-N
XLogP2.47
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152134
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxybenzamide
CID 43889432
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150068
2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 30148750
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30151119
2-[ethyl(methylsulfonyl)amino]-N-(5-fluoro-2-methylphenyl)-4,5-dimethoxybenzamide
CID 30149643
N-(1,3-benzodioxol-5-yl)-4-bromo-2-methoxybenzamide
CID 78987803
N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30148805
N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152189
N-(3-chloro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152157
N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152029
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
CID 110426304

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide (CID 30149167) is N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide is CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The InChIKey is SKHRJCSGFBKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-5-21(29(4,23)24)14-10-17(26-3)16(25-2)9-13(14)19(22)20-12-6-7-15-18(8-12)28-11-27-15/h6-10H,5,11H2,1-4H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide has a molecular weight of 422.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 30149167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).