3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide

C15H25NO4S — CID 115943054

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide
SMILESCC(C)(C)OCCOCC(CS(N)(=O)=O)c1ccccc1
InChIInChI=1S/C15H25NO4S/c1-15(2,3)20-10-9-19-11-14(12-21(16,17)18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H2,16,17,18)
InChIKeyNAEKGXKKBJRRNX-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.89
Rot. Bonds8

About 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide

3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide (PubChem CID 115943054) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide
PubChem CID115943054
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide
SMILESCC(C)(C)OCCOCC(CS(N)(=O)=O)c1ccccc1
InChIInChI=1S/C15H25NO4S/c1-15(2,3)20-10-9-19-11-14(12-21(16,17)18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H2,16,17,18)
InChIKeyNAEKGXKKBJRRNX-UHFFFAOYSA-N
XLogP1.89
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide
CID 65015331
3-heptoxy-2-phenylpropane-1-sulfonamide
CID 65015525
3-hexoxy-2-phenylpropane-1-sulfonyl chloride
CID 65015462
3-(3-methoxy-3-methylbutoxy)-2-phenylpropane-1-thiol
CID 106668916
2-[(2-methylpropan-2-yl)oxy]ethyl 3-phenylbutanoate
CID 160511208
2,2-diphenylethanesulfonamide
CID 68954742
3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide
CID 65014994
[4-(2-ethoxyethoxy)-3-phenylbutyl] hydrogen carbonate
CID 90300540
3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide
CID 65015045
1-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587392
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonamide
CID 112590353

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide (CID 115943054) is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide is CC(C)(C)OCCOCC(CS(N)(=O)=O)c1ccccc1.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide?
The InChIKey is NAEKGXKKBJRRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-15(2,3)20-10-9-19-11-14(12-21(16,17)18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide?
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 115943054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).