2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide

C14H23NO4S — CID 65015331

IUPAC2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide
SMILESCC(C)OCCOCC(CS(N)(=O)=O)c1ccccc1
InChIInChI=1S/C14H23NO4S/c1-12(2)19-9-8-18-10-14(11-20(15,16)17)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,15,16,17)
InChIKeyPLEUBVMGEUXHFF-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.50
Rot. Bonds9

About 2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide

2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide (PubChem CID 65015331) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide.

Molecular Properties

Compound Name2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide
PubChem CID65015331
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide
SMILESCC(C)OCCOCC(CS(N)(=O)=O)c1ccccc1
InChIInChI=1S/C14H23NO4S/c1-12(2)19-9-8-18-10-14(11-20(15,16)17)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,15,16,17)
InChIKeyPLEUBVMGEUXHFF-UHFFFAOYSA-N
XLogP1.50
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.50
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

3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylpropane-1-sulfonamide
CID 115943054
3-heptoxy-2-phenylpropane-1-sulfonamide
CID 65015525
3-hexoxy-2-phenylpropane-1-sulfonyl chloride
CID 65015462
2,2-diphenylethanesulfonamide
CID 68954742
2-propan-2-yloxyethyl benzenesulfonate
CID 141202169
3-(4-methylpentan-2-yloxy)-2-phenylpropane-1-sulfonyl chloride
CID 65015506
3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide
CID 65014994
[4-(2-ethoxyethoxy)-3-phenylbutyl] hydrogen carbonate
CID 90300540
1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 43211618
2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098
3-(oxolan-3-yloxy)-2-phenylpropane-1-sulfonamide
CID 65015045
2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide
CID 106450633

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide?
The IUPAC name of 2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide (CID 65015331) is 2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide.
What is the SMILES notation for 2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide?
The canonical SMILES for 2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide is CC(C)OCCOCC(CS(N)(=O)=O)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide?
The InChIKey is PLEUBVMGEUXHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-12(2)19-9-8-18-10-14(11-20(15,16)17)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide?
2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-propan-2-yloxyethoxy)propane-1-sulfonamide is sourced from PubChem (CID 65015331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).