2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide

C15H25NO4S — CID 65003642

IUPAC2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
SMILESCCOc1ccc(OCC(CC)(CC)CS(N)(=O)=O)cc1
InChIInChI=1S/C15H25NO4S/c1-4-15(5-2,12-21(16,17)18)11-20-14-9-7-13(8-10-14)19-6-3/h7-10H,4-6,11-12H2,1-3H3,(H2,16,17,18)
InChIKeyXCDNYFBXSJGFOG-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.56
Rot. Bonds9

About 2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide

2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide (PubChem CID 65003642) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
PubChem CID65003642
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
SMILESCCOc1ccc(OCC(CC)(CC)CS(N)(=O)=O)cc1
InChIInChI=1S/C15H25NO4S/c1-4-15(5-2,12-21(16,17)18)11-20-14-9-7-13(8-10-14)19-6-3/h7-10H,4-6,11-12H2,1-3H3,(H2,16,17,18)
InChIKeyXCDNYFBXSJGFOG-UHFFFAOYSA-N
XLogP2.56
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide
CID 65004097
2-(phenoxymethyl)-2-propylpentane-1-sulfonamide
CID 65005058
2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride
CID 65003476
1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene
CID 64998942
2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide
CID 65003749
2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide
CID 65003897
2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111067
2-[(3-methylphenoxy)methyl]-2-propylpentane-1-sulfonamide
CID 65005010
2,2-dimethyl-3-(4-methylsulfonylphenoxy)propane-1-sulfonamide
CID 64998335
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
1-bromo-4-[2-(bromomethyl)-2-ethylbutoxy]benzene
CID 64998409
2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride
CID 65004081

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The IUPAC name of 2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide (CID 65003642) is 2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide.
What is the SMILES notation for 2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The canonical SMILES for 2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide is CCOc1ccc(OCC(CC)(CC)CS(N)(=O)=O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The InChIKey is XCDNYFBXSJGFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-4-15(5-2,12-21(16,17)18)11-20-14-9-7-13(8-10-14)19-6-3/h7-10H,4-6,11-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide?
2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide is sourced from PubChem (CID 65003642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).