N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide

C15H10F3NO2S — CID 3294573

IUPACN-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CC(=O)c2sccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)9-3-1-2-8(6-9)14(21)19-11-7-12(20)13-10(11)4-5-22-13/h1-6,11H,7H2,(H,19,21)
InChIKeyDQIHYJNLNFGSJS-UHFFFAOYSA-N
MW325.31 g/mol
LogP3.82
Rot. Bonds2

About N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide

N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 3294573) has the molecular formula C15H10F3NO2S and a molecular weight of 325.31 g/mol. Its IUPAC name is N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID3294573
Molecular FormulaC15H10F3NO2S
Molecular Weight325.31 g/mol
Exact Mass325.04
IUPAC NameN-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CC(=O)c2sccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)9-3-1-2-8(6-9)14(21)19-11-7-12(20)13-10(11)4-5-22-13/h1-6,11H,7H2,(H,19,21)
InChIKeyDQIHYJNLNFGSJS-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide (CID 3294573) is N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide is O=C(NC1CC(=O)c2sccc21)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is DQIHYJNLNFGSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2S/c16-15(17,18)9-3-1-2-8(6-9)14(21)19-11-7-12(20)13-10(11)4-5-22-13/h1-6,11H,7H2,(H,19,21).
What are the key properties of N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide?
N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 325.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3294573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).