N-(9-oxothioxanthen-3-yl)acetamide

C15H11NO2S — CID 139971728

IUPACN-(9-oxothioxanthen-3-yl)acetamide
SMILESCC(=O)Nc1ccc2c(=O)c3ccccc3sc2c1
InChIInChI=1S/C15H11NO2S/c1-9(17)16-10-6-7-12-14(8-10)19-13-5-3-2-4-11(13)15(12)18/h2-8H,1H3,(H,16,17)
InChIKeySUBWVWSBRDLEMO-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.37
Rot. Bonds1

About N-(9-oxothioxanthen-3-yl)acetamide

N-(9-oxothioxanthen-3-yl)acetamide (PubChem CID 139971728) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(9-oxothioxanthen-3-yl)acetamide.

Molecular Properties

Compound NameN-(9-oxothioxanthen-3-yl)acetamide
PubChem CID139971728
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC NameN-(9-oxothioxanthen-3-yl)acetamide
SMILESCC(=O)Nc1ccc2c(=O)c3ccccc3sc2c1
InChIInChI=1S/C15H11NO2S/c1-9(17)16-10-6-7-12-14(8-10)19-13-5-3-2-4-11(13)15(12)18/h2-8H,1H3,(H,16,17)
InChIKeySUBWVWSBRDLEMO-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(9-oxothioxanthen-3-yl) acetate
CID 147267913
[(9-oxothioxanthen-2-yl)amino] acetate
CID 175296260
2-methylprop-2-enoic acid;thioxanthen-9-one
CID 174860771
N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide
CID 7313885
2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide
CID 164708363
N-(9-oxothioxanthen-2-yl)-4-(trifluoromethyl)benzamide
CID 5300075
N-(9-oxoxanthen-2-yl)acetamide
CID 72793124
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
3-cyclohexyl-N-(9-oxothioxanthen-2-yl)propanamide
CID 4918578
N-(6-ethyl-9-oxo-5,6,7,8-tetrahydrothioxanthen-3-yl)acetamide
CID 59981986
N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide
CID 71761280
3-butylthioxanthen-9-one
CID 122699511

Frequently Asked Questions

What is the IUPAC name of N-(9-oxothioxanthen-3-yl)acetamide?
The IUPAC name of N-(9-oxothioxanthen-3-yl)acetamide (CID 139971728) is N-(9-oxothioxanthen-3-yl)acetamide.
What is the SMILES notation for N-(9-oxothioxanthen-3-yl)acetamide?
The canonical SMILES for N-(9-oxothioxanthen-3-yl)acetamide is CC(=O)Nc1ccc2c(=O)c3ccccc3sc2c1.
What is the InChIKey of N-(9-oxothioxanthen-3-yl)acetamide?
The InChIKey is SUBWVWSBRDLEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-9(17)16-10-6-7-12-14(8-10)19-13-5-3-2-4-11(13)15(12)18/h2-8H,1H3,(H,16,17).
What are the key properties of N-(9-oxothioxanthen-3-yl)acetamide?
N-(9-oxothioxanthen-3-yl)acetamide has a molecular weight of 269.33 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-oxothioxanthen-3-yl)acetamide is sourced from PubChem (CID 139971728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).