2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide

C16H27NO3S — CID 65003897

IUPAC2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide
SMILESCCC(CC)(COc1cc(C)cc(C)c1C)CS(N)(=O)=O
InChIInChI=1S/C16H27NO3S/c1-6-16(7-2,11-21(17,18)19)10-20-15-9-12(3)8-13(4)14(15)5/h8-9H,6-7,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyQNNVTHGIXQSIJV-UHFFFAOYSA-N
MW313.46 g/mol
LogP3.09
Rot. Bonds7

About 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide

2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide (PubChem CID 65003897) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide
PubChem CID65003897
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide
SMILESCCC(CC)(COc1cc(C)cc(C)c1C)CS(N)(=O)=O
InChIInChI=1S/C16H27NO3S/c1-6-16(7-2,11-21(17,18)19)10-20-15-9-12(3)8-13(4)14(15)5/h8-9H,6-7,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyQNNVTHGIXQSIJV-UHFFFAOYSA-N
XLogP3.09
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide?
The IUPAC name of 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide (CID 65003897) is 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide.
What is the SMILES notation for 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide?
The canonical SMILES for 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide is CCC(CC)(COc1cc(C)cc(C)c1C)CS(N)(=O)=O.
What is the InChIKey of 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide?
The InChIKey is QNNVTHGIXQSIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-6-16(7-2,11-21(17,18)19)10-20-15-9-12(3)8-13(4)14(15)5/h8-9H,6-7,10-11H2,1-5H3,(H2,17,18,19).
What are the key properties of 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide?
2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide has a molecular weight of 313.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide is sourced from PubChem (CID 65003897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).