9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide

C17H15NO4S — CID 2335414

IUPAC9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C17H15NO4S/c1-10(2)18-17(20)11-7-8-13-15(9-11)23(21,22)14-6-4-3-5-12(14)16(13)19/h3-10H,1-2H3,(H,18,20)
InChIKeyZRUOJGXVUMJEFA-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.20
Rot. Bonds2

About 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide

9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide (PubChem CID 2335414) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide.

Molecular Properties

Compound Name9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide
PubChem CID2335414
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C17H15NO4S/c1-10(2)18-17(20)11-7-8-13-15(9-11)23(21,22)14-6-4-3-5-12(14)16(13)19/h3-10H,1-2H3,(H,18,20)
InChIKeyZRUOJGXVUMJEFA-UHFFFAOYSA-N
XLogP2.20
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Oxo-9H-thioxanthene-3-carboxamide 10,10-dioxide
CID 390891
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide
CID 4846989
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(dimethylsulfamoyl)benzamide
CID 16392850
N-(1-methoxypropan-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 24677546
Cambridge id 5344930
CID 1379044
7-Isopropyl-9,10,10-trioxo-9,10-dihydro-10lambda*6*-thioxanthene-3-carboxylic acid methylamide
CID 10736152
9-Oxo-9H-thioxanthene-3-carboxylic acid methylamide
CID 10849579
N-Methyl-9-oxothioxanthene-3-carboxamide 10,10-dioxide
CID 11722381
N-cyclohexyl-4-methyl-3-(piperidine-1-sulfonyl)benzamide
CID 1068516
3-(4-Methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2331605
Methyl 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]acetate
CID 2336012
N-(2-hydroxyethyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 2374909

Frequently Asked Questions

What is the IUPAC name of 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide?
The IUPAC name of 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide (CID 2335414) is 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide.
What is the SMILES notation for 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide?
The canonical SMILES for 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide is CC(C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O.
What is the InChIKey of 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide?
The InChIKey is ZRUOJGXVUMJEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-10(2)18-17(20)11-7-8-13-15(9-11)23(21,22)14-6-4-3-5-12(14)16(13)19/h3-10H,1-2H3,(H,18,20).
What are the key properties of 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide?
9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide is sourced from PubChem (CID 2335414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).