2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide

C15H25NO3S — CID 65004097

IUPAC2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide
SMILESCCc1cccc(OCC(CC)(CC)CS(N)(=O)=O)c1
InChIInChI=1S/C15H25NO3S/c1-4-13-8-7-9-14(10-13)19-11-15(5-2,6-3)12-20(16,17)18/h7-10H,4-6,11-12H2,1-3H3,(H2,16,17,18)
InChIKeyCZBOFKLNXIWSLX-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.72
Rot. Bonds8

About 2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide

2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide (PubChem CID 65004097) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide
PubChem CID65004097
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide
SMILESCCc1cccc(OCC(CC)(CC)CS(N)(=O)=O)c1
InChIInChI=1S/C15H25NO3S/c1-4-13-8-7-9-14(10-13)19-11-15(5-2,6-3)12-20(16,17)18/h7-10H,4-6,11-12H2,1-3H3,(H2,16,17,18)
InChIKeyCZBOFKLNXIWSLX-UHFFFAOYSA-N
XLogP2.72
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)-2-ethylbutoxy]-3-ethylbenzene
CID 64998790
2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003642
2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide
CID 107171159
2-[(3-methylphenoxy)methyl]-2-propylpentane-1-sulfonamide
CID 65005010
2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide
CID 65005106
2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride
CID 65003476
3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide
CID 64999626
(3-ethylphenyl) hydrogen sulfate
CID 86290012
(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124
N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627888
2-[2-(3-ethylphenoxy)ethyl]aniline
CID 62495247

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide?
The IUPAC name of 2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide (CID 65004097) is 2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide.
What is the SMILES notation for 2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide?
The canonical SMILES for 2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide is CCc1cccc(OCC(CC)(CC)CS(N)(=O)=O)c1.
What is the InChIKey of 2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide?
The InChIKey is CZBOFKLNXIWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-13-8-7-9-14(10-13)19-11-15(5-2,6-3)12-20(16,17)18/h7-10H,4-6,11-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide?
2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide is sourced from PubChem (CID 65004097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).