2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide

C15H25NO3S — CID 65003591

IUPAC2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide
SMILESCCC(CC)(COc1cccc(C)c1C)CS(N)(=O)=O
InChIInChI=1S/C15H25NO3S/c1-5-15(6-2,11-20(16,17)18)10-19-14-9-7-8-12(3)13(14)4/h7-9H,5-6,10-11H2,1-4H3,(H2,16,17,18)
InChIKeyJOEBUCAWCKVIHB-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.78
Rot. Bonds7

About 2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide

2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide (PubChem CID 65003591) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide
PubChem CID65003591
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide
SMILESCCC(CC)(COc1cccc(C)c1C)CS(N)(=O)=O
InChIInChI=1S/C15H25NO3S/c1-5-15(6-2,11-20(16,17)18)10-19-14-9-7-8-12(3)13(14)4/h7-9H,5-6,10-11H2,1-4H3,(H2,16,17,18)
InChIKeyJOEBUCAWCKVIHB-UHFFFAOYSA-N
XLogP2.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003642
1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol
CID 114495975
2-[(2,3-dimethylphenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65012531
2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonyl chloride
CID 65004130
2-[3-(2-formyl-3-methylphenoxy)-2,2-bis[(2-formyl-3-methylphenoxy)methyl]propoxy]-6-methylbenzaldehyde
CID 102134444
2-[(3-methylphenoxy)methyl]-2-propylpentane-1-sulfonamide
CID 65005010
2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581903
2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide
CID 63920183
N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide
CID 113100955
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689
2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide
CID 69237538

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide (CID 65003591) is 2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide.
What is the SMILES notation for 2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The canonical SMILES for 2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide is CCC(CC)(COc1cccc(C)c1C)CS(N)(=O)=O.
What is the InChIKey of 2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The InChIKey is JOEBUCAWCKVIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-15(6-2,11-20(16,17)18)10-19-14-9-7-8-12(3)13(14)4/h7-9H,5-6,10-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide?
2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenoxy)methyl]-2-ethylbutane-1-sulfonamide is sourced from PubChem (CID 65003591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).