9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide

C24H17NO5S — CID 166227055

IUPAC9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C24H17NO5S/c26-20-6-3-4-14-8-10-16(13-19(14)20)25-24(28)15-9-11-18-22(12-15)31(29,30)21-7-2-1-5-17(21)23(18)27/h1-2,5,7-13H,3-4,6H2,(H,25,28)
InChIKeyQADSAIBOJQZOAD-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.84
Rot. Bonds2

About 9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide

9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide (PubChem CID 166227055) has the molecular formula C24H17NO5S and a molecular weight of 431.47 g/mol. Its IUPAC name is 9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide.

Molecular Properties

Compound Name9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide
PubChem CID166227055
Molecular FormulaC24H17NO5S
Molecular Weight431.47 g/mol
Exact Mass431.08
IUPAC Name9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C24H17NO5S/c26-20-6-3-4-14-8-10-16(13-19(14)20)25-24(28)15-9-11-18-22(12-15)31(29,30)21-7-2-1-5-17(21)23(18)27/h1-2,5,7-13H,3-4,6H2,(H,25,28)
InChIKeyQADSAIBOJQZOAD-UHFFFAOYSA-N
XLogP3.84
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 7945387
N-cycloheptyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 2409921
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2307091
N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 7962238
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 154834472
9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide
CID 2331607
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
9,10,10-trioxo-N-(1H-1,2,4-triazol-5-yl)thioxanthene-3-carboxamide
CID 2306951
3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2331605
cyclopentyl 9,10,10-trioxothioxanthene-3-carboxylate
CID 17469972
3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2307108

Frequently Asked Questions

What is the IUPAC name of 9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide?
The IUPAC name of 9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide (CID 166227055) is 9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide.
What is the SMILES notation for 9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide?
The canonical SMILES for 9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide is O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O.
What is the InChIKey of 9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide?
The InChIKey is QADSAIBOJQZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO5S/c26-20-6-3-4-14-8-10-16(13-19(14)20)25-24(28)15-9-11-18-22(12-15)31(29,30)21-7-2-1-5-17(21)23(18)27/h1-2,5,7-13H,3-4,6H2,(H,25,28).
What are the key properties of 9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide?
9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide is sourced from PubChem (CID 166227055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).