N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide

C17H15NO2S — CID 162398867

IUPACN-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide
SMILESO=C1CC(NC(=O)C2CC2)c2sc(-c3ccccc3)cc21
InChIInChI=1S/C17H15NO2S/c19-14-9-13(18-17(20)11-6-7-11)16-12(14)8-15(21-16)10-4-2-1-3-5-10/h1-5,8,11,13H,6-7,9H2,(H,18,20)
InChIKeyUZJUZFOBEZFZCZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.57
Rot. Bonds3

About N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide

N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide (PubChem CID 162398867) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide
PubChem CID162398867
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide
SMILESO=C1CC(NC(=O)C2CC2)c2sc(-c3ccccc3)cc21
InChIInChI=1S/C17H15NO2S/c19-14-9-13(18-17(20)11-6-7-11)16-12(14)8-15(21-16)10-4-2-1-3-5-10/h1-5,8,11,13H,6-7,9H2,(H,18,20)
InChIKeyUZJUZFOBEZFZCZ-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide (CID 162398867) is N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide is O=C1CC(NC(=O)C2CC2)c2sc(-c3ccccc3)cc21.
What is the InChIKey of N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide?
The InChIKey is UZJUZFOBEZFZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-14-9-13(18-17(20)11-6-7-11)16-12(14)8-15(21-16)10-4-2-1-3-5-10/h1-5,8,11,13H,6-7,9H2,(H,18,20).
What are the key properties of N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide?
N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-phenyl-5,6-dihydrocyclopenta[b]thiophen-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 162398867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).