2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine

C24H34N2O2S — CID 11429912

IUPAC2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc2c(c1)sc1cc(OCCN(CC)CC)ccc12
InChIInChI=1S/C24H34N2O2S/c1-5-25(6-2)13-15-27-19-9-11-21-22-12-10-20(18-24(22)29-23(21)17-19)28-16-14-26(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyGAWDFAAKHBPDBZ-UHFFFAOYSA-N
MW414.62 g/mol
LogP5.50
Rot. Bonds12

About 2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine

2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine (PubChem CID 11429912) has the molecular formula C24H34N2O2S and a molecular weight of 414.62 g/mol. Its IUPAC name is 2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine
PubChem CID11429912
Molecular FormulaC24H34N2O2S
Molecular Weight414.62 g/mol
Exact Mass414.23
IUPAC Name2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc2c(c1)sc1cc(OCCN(CC)CC)ccc12
InChIInChI=1S/C24H34N2O2S/c1-5-25(6-2)13-15-27-19-9-11-21-22-12-10-20(18-24(22)29-23(21)17-19)28-16-14-26(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyGAWDFAAKHBPDBZ-UHFFFAOYSA-N
XLogP5.50
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine?
The IUPAC name of 2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine (CID 11429912) is 2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine?
The canonical SMILES for 2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine is CCN(CC)CCOc1ccc2c(c1)sc1cc(OCCN(CC)CC)ccc12.
What is the InChIKey of 2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine?
The InChIKey is GAWDFAAKHBPDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2S/c1-5-25(6-2)13-15-27-19-9-11-21-22-12-10-20(18-24(22)29-23(21)17-19)28-16-14-26(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3.
What are the key properties of 2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine?
2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine has a molecular weight of 414.62 g/mol, XLogP of 5.50, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(diethylamino)ethoxy]dibenzothiophen-3-yl]oxy-N,N-diethylethanamine is sourced from PubChem (CID 11429912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).