N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide

C15H14N2O3S — CID 6736057

IUPACN-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide
SMILESO=C(NN1C(=O)C2C3C=CC(CC3)C2C1=O)c1cccs1
InChIInChI=1S/C15H14N2O3S/c18-13(10-2-1-7-21-10)16-17-14(19)11-8-3-4-9(6-5-8)12(11)15(17)20/h1-4,7-9,11-12H,5-6H2,(H,16,18)
InChIKeyYMXVRPMGJHOBHC-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.59
Rot. Bonds2

About N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide

N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide (PubChem CID 6736057) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide
PubChem CID6736057
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide
SMILESO=C(NN1C(=O)C2C3C=CC(CC3)C2C1=O)c1cccs1
InChIInChI=1S/C15H14N2O3S/c18-13(10-2-1-7-21-10)16-17-14(19)11-8-3-4-9(6-5-8)12(11)15(17)20/h1-4,7-9,11-12H,5-6H2,(H,16,18)
InChIKeyYMXVRPMGJHOBHC-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide (CID 6736057) is N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide is O=C(NN1C(=O)C2C3C=CC(CC3)C2C1=O)c1cccs1.
What is the InChIKey of N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide?
The InChIKey is YMXVRPMGJHOBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-13(10-2-1-7-21-10)16-17-14(19)11-8-3-4-9(6-5-8)12(11)15(17)20/h1-4,7-9,11-12H,5-6H2,(H,16,18).
What are the key properties of N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide?
N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6736057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).