2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine

C24H34N2O3S — CID 11270377

IUPAC2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc2c(c1)S(=O)c1cc(OCCN(CC)CC)ccc1-2
InChIInChI=1S/C24H34N2O3S/c1-5-25(6-2)13-15-28-19-9-11-21-22-12-10-20(29-16-14-26(7-3)8-4)18-24(22)30(27)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyUJARZWVISDTJTE-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.27
Rot. Bonds12

About 2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine

2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine (PubChem CID 11270377) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine
PubChem CID11270377
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc2c(c1)S(=O)c1cc(OCCN(CC)CC)ccc1-2
InChIInChI=1S/C24H34N2O3S/c1-5-25(6-2)13-15-28-19-9-11-21-22-12-10-20(29-16-14-26(7-3)8-4)18-24(22)30(27)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyUJARZWVISDTJTE-UHFFFAOYSA-N
XLogP4.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.27
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]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine?
The IUPAC name of 2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine (CID 11270377) is 2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine?
The canonical SMILES for 2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine is CCN(CC)CCOc1ccc2c(c1)S(=O)c1cc(OCCN(CC)CC)ccc1-2.
What is the InChIKey of 2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine?
The InChIKey is UJARZWVISDTJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-5-25(6-2)13-15-28-19-9-11-21-22-12-10-20(29-16-14-26(7-3)8-4)18-24(22)30(27)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3.
What are the key properties of 2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine?
2-[7-[2-(diethylamino)ethoxy]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine has a molecular weight of 430.61 g/mol, XLogP of 4.27, 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]-5-oxodibenzothiophen-3-yl]oxy-N,N-diethylethanamine is sourced from PubChem (CID 11270377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).