N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide

C19H17NO4S — CID 7962238

IUPACN-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO4S/c21-18-14-7-3-4-8-16(14)25(23,24)17-11-12(9-10-15(17)18)19(22)20-13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,20,22)
InChIKeyYENGDVGEQVWORF-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.74
Rot. Bonds2

About N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide

N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide (PubChem CID 7962238) has the molecular formula C19H17NO4S and a molecular weight of 355.41 g/mol. Its IUPAC name is N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide
PubChem CID7962238
Molecular FormulaC19H17NO4S
Molecular Weight355.41 g/mol
Exact Mass355.09
IUPAC NameN-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO4S/c21-18-14-7-3-4-8-16(14)25(23,24)17-11-12(9-10-15(17)18)19(22)20-13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,20,22)
InChIKeyYENGDVGEQVWORF-UHFFFAOYSA-N
XLogP2.74
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 2409921
9,10,10-trioxo-N-piperidin-3-ylthioxanthene-3-carboxamide;hydrochloride
CID 119425718
N-[2-(aminomethyl)cyclopentyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 119601979
N-(3-methylpiperidin-4-yl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 120555324
9,10,10-trioxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thioxanthene-3-carboxamide
CID 3965714
9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide
CID 2331607
3-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-10,10-dioxothioxanthen-9-one
CID 7689733
3-[4-(methylamino)piperidine-1-carbonyl]-10,10-dioxothioxanthen-9-one;hydrochloride
CID 119561026
N-(4-acetylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 7945387
N-hexyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 8886288
N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 8839695
N-cyclopentyl-9H-fluorene-2-carboxamide
CID 39896867

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide?
The IUPAC name of N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide (CID 7962238) is N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide?
The canonical SMILES for N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide is O=C(NC1CCCC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O.
What is the InChIKey of N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide?
The InChIKey is YENGDVGEQVWORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-18-14-7-3-4-8-16(14)25(23,24)17-11-12(9-10-15(17)18)19(22)20-13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6H2,(H,20,22).
What are the key properties of N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide?
N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide is sourced from PubChem (CID 7962238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).