N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide

C24H20N2O3S — CID 71550192

IUPACN'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide
SMILESCc1ccc2c(=O)c3cccc(CC(=O)NNC(=S)c4ccccc4)c3oc2c1C
InChIInChI=1S/C24H20N2O3S/c1-14-11-12-19-21(28)18-10-6-9-17(23(18)29-22(19)15(14)2)13-20(27)25-26-24(30)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyFPXOPCMXAJZTKI-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.10
Rot. Bonds3

About N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide

N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide (PubChem CID 71550192) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide
PubChem CID71550192
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC NameN'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide
SMILESCc1ccc2c(=O)c3cccc(CC(=O)NNC(=S)c4ccccc4)c3oc2c1C
InChIInChI=1S/C24H20N2O3S/c1-14-11-12-19-21(28)18-10-6-9-17(23(18)29-22(19)15(14)2)13-20(27)25-26-24(30)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyFPXOPCMXAJZTKI-UHFFFAOYSA-N
XLogP4.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-propylacetamide
CID 71550063
3,4-dimethyl-5-prop-2-enylxanthen-9-one
CID 59287844
2-(5,6-dimethyl-9-oxoxanthen-1-yl)acetic acid
CID 24847680
5-[5-[2-(2-hydroxyethylsulfanyl)propan-2-ylsulfanyl]-2-oxopentyl]-3,4-dimethylxanthen-9-one
CID 163385075
5,6-dimethyl-9-oxoxanthene-4-carbaldehyde
CID 156873174
5-bromo-3,4-dimethylxanthen-9-one
CID 59287847
2-(7-bromo-5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid
CID 24953684
[5-[(carbamothioylamino)methyl]-9-oxoxanthen-4-yl]methylthiourea
CID 141212497
2-(9-oxoxanthen-4-yl)acetic acid;propane
CID 91358687
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 18861596
sodium 2-(8-methyl-9-oxoxanthen-4-yl)acetic acid
CID 54600888

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide?
The IUPAC name of N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide (CID 71550192) is N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide.
What is the SMILES notation for N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide?
The canonical SMILES for N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide is Cc1ccc2c(=O)c3cccc(CC(=O)NNC(=S)c4ccccc4)c3oc2c1C.
What is the InChIKey of N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide?
The InChIKey is FPXOPCMXAJZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-14-11-12-19-21(28)18-10-6-9-17(23(18)29-22(19)15(14)2)13-20(27)25-26-24(30)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,25,27)(H,26,30).
What are the key properties of N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide?
N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide has a molecular weight of 416.50 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenecarbonothioyl)-2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetohydrazide is sourced from PubChem (CID 71550192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).