N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide

C19H20N2O6S — CID 56561819

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C19H20N2O6S/c1-4-21(11-12-5-8-16(26-2)17(9-12)27-3)28(24,25)13-6-7-14-15(10-13)19(23)20-18(14)22/h5-10H,4,11H2,1-3H3,(H,20,22,23)
InChIKeyINDLROCBFUQWOM-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.80
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 56561819) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide
PubChem CID56561819
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C19H20N2O6S/c1-4-21(11-12-5-8-16(26-2)17(9-12)27-3)28(24,25)13-6-7-14-15(10-13)19(23)20-18(14)22/h5-10H,4,11H2,1-3H3,(H,20,22,23)
InChIKeyINDLROCBFUQWOM-UHFFFAOYSA-N
XLogP1.80
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 56587276
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-methylbenzenesulfonamide
CID 30173555
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 3785219
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide
CID 8801352
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 60594986
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide
CID 30667701

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide (CID 56561819) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide is CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is INDLROCBFUQWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-4-21(11-12-5-8-16(26-2)17(9-12)27-3)28(24,25)13-6-7-14-15(10-13)19(23)20-18(14)22/h5-10H,4,11H2,1-3H3,(H,20,22,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 404.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 56561819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).