1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene

C12H20N2O4S — CID 113101851

IUPAC1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1OCCNS(=O)(=O)N(C)C
InChIInChI=1S/C12H20N2O4S/c1-10-5-6-11(12(9-10)17-4)18-8-7-13-19(15,16)14(2)3/h5-6,9,13H,7-8H2,1-4H3
InChIKeyIMFDUMYZDBJRRO-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.78
Rot. Bonds7

About 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene

1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene (PubChem CID 113101851) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
PubChem CID113101851
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1OCCNS(=O)(=O)N(C)C
InChIInChI=1S/C12H20N2O4S/c1-10-5-6-11(12(9-10)17-4)18-8-7-13-19(15,16)14(2)3/h5-6,9,13H,7-8H2,1-4H3
InChIKeyIMFDUMYZDBJRRO-UHFFFAOYSA-N
XLogP0.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene
CID 35606173
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 47320480
2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
CID 58551430
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102892
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene (CID 113101851) is 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene is COc1cc(C)ccc1OCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene?
The InChIKey is IMFDUMYZDBJRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-10-5-6-11(12(9-10)17-4)18-8-7-13-19(15,16)14(2)3/h5-6,9,13H,7-8H2,1-4H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene?
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene has a molecular weight of 288.37 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene is sourced from PubChem (CID 113101851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).