N-methyl-9-oxothioxanthene-3-carboxamide

C15H11NO2S — CID 10849579

IUPACN-methyl-9-oxothioxanthene-3-carboxamide
SMILESCNC(=O)c1ccc2c(=O)c3ccccc3sc2c1
InChIInChI=1S/C15H11NO2S/c1-16-15(18)9-6-7-11-13(8-9)19-12-5-3-2-4-10(12)14(11)17/h2-8H,1H3,(H,16,18)
InChIKeySYKUYKPKEFJHSE-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.77
Rot. Bonds1

About N-methyl-9-oxothioxanthene-3-carboxamide

N-methyl-9-oxothioxanthene-3-carboxamide (PubChem CID 10849579) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-methyl-9-oxothioxanthene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-9-oxothioxanthene-3-carboxamide
PubChem CID10849579
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC NameN-methyl-9-oxothioxanthene-3-carboxamide
SMILESCNC(=O)c1ccc2c(=O)c3ccccc3sc2c1
InChIInChI=1S/C15H11NO2S/c1-16-15(18)9-6-7-11-13(8-9)19-12-5-3-2-4-10(12)14(11)17/h2-8H,1H3,(H,16,18)
InChIKeySYKUYKPKEFJHSE-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-Oxo-9H-thioxanthene-3-carboxamide 10,10-dioxide
CID 390891
N-(1-methoxypropan-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 24677546
7-Isopropyl-9,10,10-trioxo-9,10-dihydro-10lambda*6*-thioxanthene-3-carboxylic acid methylamide
CID 10736152
N-Methyl-9-oxothioxanthene-3-carboxamide 10,10-dioxide
CID 11722381
9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide
CID 2335414
Methyl 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]acetate
CID 2336012
N-(2-hydroxyethyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 2374909
N-(2-methylbutan-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 2443473
N-ethyl-9,10,10-trioxo-9H-10lambda6-thioxanthene-3-carboxamide
CID 2573157
3-methyl-N-(6-methyl-4-oxo-3,4-dihydro-2H-thiochromen-3-yl)benzenecarboxamide
CID 3416951
4-methyl-N-(6-methyl-4-oxo-3,4-dihydro-2H-thiochromen-3-yl)benzenecarboxamide
CID 3710006
N-(2-acetamidoethyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 4845254

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-oxothioxanthene-3-carboxamide?
The IUPAC name of N-methyl-9-oxothioxanthene-3-carboxamide (CID 10849579) is N-methyl-9-oxothioxanthene-3-carboxamide.
What is the SMILES notation for N-methyl-9-oxothioxanthene-3-carboxamide?
The canonical SMILES for N-methyl-9-oxothioxanthene-3-carboxamide is CNC(=O)c1ccc2c(=O)c3ccccc3sc2c1.
What is the InChIKey of N-methyl-9-oxothioxanthene-3-carboxamide?
The InChIKey is SYKUYKPKEFJHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-16-15(18)9-6-7-11-13(8-9)19-12-5-3-2-4-10(12)14(11)17/h2-8H,1H3,(H,16,18).
What are the key properties of N-methyl-9-oxothioxanthene-3-carboxamide?
N-methyl-9-oxothioxanthene-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-oxothioxanthene-3-carboxamide is sourced from PubChem (CID 10849579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).