7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide

C17H16N2O4S — CID 10759875

IUPAC7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide
SMILESCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccc(N(C)C)cc1C2=O
InChIInChI=1S/C17H16N2O4S/c1-18-17(21)10-4-6-12-15(8-10)24(22,23)14-7-5-11(19(2)3)9-13(14)16(12)20/h4-9H,1-3H3,(H,18,21)
InChIKeyYCBUPNIABHRPIN-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.49
Rot. Bonds2

About 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide

7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide (PubChem CID 10759875) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide.

Molecular Properties

Compound Name7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide
PubChem CID10759875
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide
SMILESCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccc(N(C)C)cc1C2=O
InChIInChI=1S/C17H16N2O4S/c1-18-17(21)10-4-6-12-15(8-10)24(22,23)14-7-5-11(19(2)3)9-13(14)16(12)20/h4-9H,1-3H3,(H,18,21)
InChIKeyYCBUPNIABHRPIN-UHFFFAOYSA-N
XLogP1.49
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-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

6-(4,5-dihydro-1H-imidazol-2-yl)-2-(ethylamino)-10,10-dioxothioxanthen-9-one
CID 10618182
6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(prop-2-enylamino)thioxanthen-9-one
CID 10761475
6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one
CID 10785329
N-Methyl-9-oxothioxanthene-3-carboxamide 10,10-dioxide
CID 11722381
6-(4,5-dihydro-1H-imidazol-2-yl)-2-(dimethylamino)-10,10-dioxothioxanthen-9-one
CID 11792518
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one
CID 11793465
N-(9,10,10-trioxothioxanthen-2-yl)acetamide
CID 10040515
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
6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one
CID 10640975
9,10,10-triketo-N-(4-methylbenzyl)-6-piperidino-thioxanthene-1-carboxamide
CID 44144194

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide?
The IUPAC name of 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide (CID 10759875) is 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide.
What is the SMILES notation for 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide?
The canonical SMILES for 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide is CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccc(N(C)C)cc1C2=O.
What is the InChIKey of 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide?
The InChIKey is YCBUPNIABHRPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-18-17(21)10-4-6-12-15(8-10)24(22,23)14-7-5-11(19(2)3)9-13(14)16(12)20/h4-9H,1-3H3,(H,18,21).
What are the key properties of 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide?
7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide is sourced from PubChem (CID 10759875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).