N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide

C14H22N2O3S — CID 102704691

IUPACN-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC)S(=O)(=O)c1ccc(CNC)cc1OC
InChIInChI=1S/C14H22N2O3S/c1-5-9-16(6-2)20(17,18)14-8-7-12(11-15-3)10-13(14)19-4/h5,7-8,10,15H,1,6,9,11H2,2-4H3
InChIKeyJSOZXIYTZDPADO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.61
Rot. Bonds8

About N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide

N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 102704691) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID102704691
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC)S(=O)(=O)c1ccc(CNC)cc1OC
InChIInChI=1S/C14H22N2O3S/c1-5-9-16(6-2)20(17,18)14-8-7-12(11-15-3)10-13(14)19-4/h5,7-8,10,15H,1,6,9,11H2,2-4H3
InChIKeyJSOZXIYTZDPADO-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 102704372
2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 102704614
N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 113241834
4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide
CID 102704690
N-ethyl-5-(ethylaminomethyl)-2,3-difluoro-N-prop-2-enylbenzenesulfonamide
CID 105123187
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704364
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide (CID 102704691) is N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide is C=CCN(CC)S(=O)(=O)c1ccc(CNC)cc1OC.
What is the InChIKey of N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is JSOZXIYTZDPADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-9-16(6-2)20(17,18)14-8-7-12(11-15-3)10-13(14)19-4/h5,7-8,10,15H,1,6,9,11H2,2-4H3.
What are the key properties of N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide?
N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 102704691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).