3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine

C20H24N2O4S — CID 25103656

IUPAC3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(OCCCN(C)C)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-21(2)11-5-13-26-18-6-4-7-19(15-18)27(23,24)22-12-10-16-14-17(25-3)8-9-20(16)22/h4,6-10,12,14-15H,5,11,13H2,1-3H3
InChIKeyVVSBAOOOSAUEPA-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.22
Rot. Bonds8

About 3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine

3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 25103656) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine
PubChem CID25103656
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(OCCCN(C)C)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-21(2)11-5-13-26-18-6-4-7-19(15-18)27(23,24)22-12-10-16-14-17(25-3)8-9-20(16)22/h4,6-10,12,14-15H,5,11,13H2,1-3H3
InChIKeyVVSBAOOOSAUEPA-UHFFFAOYSA-N
XLogP3.22
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine (CID 25103656) is 3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine is COc1ccc2c(ccn2S(=O)(=O)c2cccc(OCCCN(C)C)c2)c1.
What is the InChIKey of 3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is VVSBAOOOSAUEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-21(2)11-5-13-26-18-6-4-7-19(15-18)27(23,24)22-12-10-16-14-17(25-3)8-9-20(16)22/h4,6-10,12,14-15H,5,11,13H2,1-3H3.
What are the key properties of 3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine?
3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 388.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methoxyindol-1-yl)sulfonylphenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 25103656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).