N-(9,10,10-trioxothioxanthen-2-yl)acetamide

C15H11NO4S — CID 10040515

IUPACN-(9,10,10-trioxothioxanthen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
InChIInChI=1S/C15H11NO4S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)21(14,19)20/h2-8H,1H3,(H,16,17)
InChIKeyWUMSWKQZBOVGMV-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.02
Rot. Bonds1

About N-(9,10,10-trioxothioxanthen-2-yl)acetamide

N-(9,10,10-trioxothioxanthen-2-yl)acetamide (PubChem CID 10040515) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(9,10,10-trioxothioxanthen-2-yl)acetamide.

Molecular Properties

Compound NameN-(9,10,10-trioxothioxanthen-2-yl)acetamide
PubChem CID10040515
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC NameN-(9,10,10-trioxothioxanthen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
InChIInChI=1S/C15H11NO4S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)21(14,19)20/h2-8H,1H3,(H,16,17)
InChIKeyWUMSWKQZBOVGMV-UHFFFAOYSA-N
XLogP2.02
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

BW 616U76
CID 131145
2-amino-9H-thioxanthen-9-one
CID 3164168
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CID 975327
N-(4-Acetyl-phenyl)-4-benzenesulfonyl-benzamide
CID 1119052
N-[4-(acetylsulfamoyl)phenyl]-2-(ethylsulfanyl)benzamide
CID 2211711
N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 2921828
2-chloro-N-(9-oxo-9H-thioxanthen-2-yl)benzamide
CID 3794832
N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide
CID 10450128
N-(6-methyl-9,10,10-trioxothioxanthen-3-yl)acetamide
CID 10470959
N-(6-ethyl-9,10,10-trioxothioxanthen-3-yl)acetamide
CID 10471770
7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 10759875
(2Z)-2-[2-(4-ethylphenyl)-2-oxoethylidene]-2H-1,4-benzothiazin-3(4H)-one
CID 12005092

Frequently Asked Questions

What is the IUPAC name of N-(9,10,10-trioxothioxanthen-2-yl)acetamide?
The IUPAC name of N-(9,10,10-trioxothioxanthen-2-yl)acetamide (CID 10040515) is N-(9,10,10-trioxothioxanthen-2-yl)acetamide.
What is the SMILES notation for N-(9,10,10-trioxothioxanthen-2-yl)acetamide?
The canonical SMILES for N-(9,10,10-trioxothioxanthen-2-yl)acetamide is CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O.
What is the InChIKey of N-(9,10,10-trioxothioxanthen-2-yl)acetamide?
The InChIKey is WUMSWKQZBOVGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)21(14,19)20/h2-8H,1H3,(H,16,17).
What are the key properties of N-(9,10,10-trioxothioxanthen-2-yl)acetamide?
N-(9,10,10-trioxothioxanthen-2-yl)acetamide has a molecular weight of 301.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10,10-trioxothioxanthen-2-yl)acetamide is sourced from PubChem (CID 10040515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).