2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide

C15H25NO3S — CID 65015190

IUPAC2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCCc1ccccc1OCC(CS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C15H25NO3S/c1-5-12-8-6-7-9-14(12)19-10-13(15(2,3)4)11-20(16,17)18/h6-9,13H,5,10-11H2,1-4H3,(H2,16,17,18)
InChIKeyASTJXSIOTVRKNT-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.58
Rot. Bonds6

About 2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide

2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 65015190) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID65015190
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCCc1ccccc1OCC(CS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C15H25NO3S/c1-5-12-8-6-7-9-14(12)19-10-13(15(2,3)4)11-20(16,17)18/h6-9,13H,5,10-11H2,1-4H3,(H2,16,17,18)
InChIKeyASTJXSIOTVRKNT-UHFFFAOYSA-N
XLogP2.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 65015618
3,3-dimethyl-2-[(2-nitrophenoxy)methyl]butane-1-sulfonamide
CID 65015232
2-[(4-bromo-2-methylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 65015193
3,3-dimethyl-2-[(4-methylphenoxy)methyl]butane-1-sulfonamide
CID 65015475
2-[(2-bromo-4-methoxyphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 104708677
3,3-dimethyl-2-[(2-propan-2-ylphenoxy)methyl]butane-1-sulfonyl chloride
CID 65015059
2-[(3-fluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 65015281
2-(2-ethylphenoxy)-1-phenylethanol
CID 60731173
2-(2-ethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162317712
3-(2-ethylphenoxy)-2-phenylpropan-1-amine
CID 112516482
1-(2,2-dimethoxyethoxy)-2-ethylbenzene
CID 66223177
3-(2-ethylphenoxy)-2-methylpropanamide
CID 64765862

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of 2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide (CID 65015190) is 2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for 2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for 2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide is CCc1ccccc1OCC(CS(N)(=O)=O)C(C)(C)C.
What is the InChIKey of 2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is ASTJXSIOTVRKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-12-8-6-7-9-14(12)19-10-13(15(2,3)4)11-20(16,17)18/h6-9,13H,5,10-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide?
2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 65015190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).