N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide

C17H19NO2S — CID 59981986

IUPACN-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide
SMILESCCC1CCc2c(sc3cc(NC(C)=O)ccc3c2=O)C1
InChIInChI=1S/C17H19NO2S/c1-3-11-4-6-13-15(8-11)21-16-9-12(18-10(2)19)5-7-14(16)17(13)20/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyXGDMLPUINQYDGT-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.73
Rot. Bonds2

About N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide

N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide (PubChem CID 59981986) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide
PubChem CID59981986
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide
SMILESCCC1CCc2c(sc3cc(NC(C)=O)ccc3c2=O)C1
InChIInChI=1S/C17H19NO2S/c1-3-11-4-6-13-15(8-11)21-16-9-12(18-10(2)19)5-7-14(16)17(13)20/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyXGDMLPUINQYDGT-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide?
The IUPAC name of N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide (CID 59981986) is N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide.
What is the SMILES notation for N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide?
The canonical SMILES for N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide is CCC1CCc2c(sc3cc(NC(C)=O)ccc3c2=O)C1.
What is the InChIKey of N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide?
The InChIKey is XGDMLPUINQYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-11-4-6-13-15(8-11)21-16-9-12(18-10(2)19)5-7-14(16)17(13)20/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,18,19).
What are the key properties of N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide?
N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide is sourced from PubChem (CID 59981986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).