3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine

C26H38N2O4S — CID 67163167

IUPAC3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1ccc2c(c1)-c1cc(OCCCN(CC)CC)ccc1S2(=O)=O
InChIInChI=1S/C26H38N2O4S/c1-5-27(6-2)15-9-17-31-21-11-13-25-23(19-21)24-20-22(12-14-26(24)33(25,29)30)32-18-10-16-28(7-3)8-4/h11-14,19-20H,5-10,15-18H2,1-4H3
InChIKeySHQHCFXVGXVZDR-UHFFFAOYSA-N
MW474.67 g/mol
LogP4.72
Rot. Bonds14

About 3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine

3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine (PubChem CID 67163167) has the molecular formula C26H38N2O4S and a molecular weight of 474.67 g/mol. Its IUPAC name is 3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine
PubChem CID67163167
Molecular FormulaC26H38N2O4S
Molecular Weight474.67 g/mol
Exact Mass474.26
IUPAC Name3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1ccc2c(c1)-c1cc(OCCCN(CC)CC)ccc1S2(=O)=O
InChIInChI=1S/C26H38N2O4S/c1-5-27(6-2)15-9-17-31-21-11-13-25-23(19-21)24-20-22(12-14-26(24)33(25,29)30)32-18-10-16-28(7-3)8-4/h11-14,19-20H,5-10,15-18H2,1-4H3
InChIKeySHQHCFXVGXVZDR-UHFFFAOYSA-N
XLogP4.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.67
LogP ≤ 54.72
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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Related Compounds

2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine
CID 67164166
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
CID 57439221
N-ethyl-2-[7-[2-(ethylamino)ethoxy]-5,5-dioxodibenzothiophen-2-yl]oxyethanamine
CID 67164251
N-[2-[5,5-dioxo-7-[2-(propylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]propan-1-amine
CID 67164379
[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea
CID 3503046
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
6-[4-(diethylamino)butoxy]-2,3-dihydrochromen-4-one
CID 141195358
N,N-diethyl-3-(3-fluoro-4-nitrophenoxy)propan-1-amine
CID 22014733
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine
CID 22014734
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969

Frequently Asked Questions

What is the IUPAC name of 3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine (CID 67163167) is 3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine is CCN(CC)CCCOc1ccc2c(c1)-c1cc(OCCCN(CC)CC)ccc1S2(=O)=O.
What is the InChIKey of 3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine?
The InChIKey is SHQHCFXVGXVZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O4S/c1-5-27(6-2)15-9-17-31-21-11-13-25-23(19-21)24-20-22(12-14-26(24)33(25,29)30)32-18-10-16-28(7-3)8-4/h11-14,19-20H,5-10,15-18H2,1-4H3.
What are the key properties of 3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine?
3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine has a molecular weight of 474.67 g/mol, XLogP of 4.72, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine is sourced from PubChem (CID 67163167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).