N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide

C15H13N3O3S — CID 110396405

IUPACN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1cccs1
InChIInChI=1S/C15H13N3O3S/c19-13(12-6-3-9-22-12)16-7-8-18-11-5-2-1-4-10(11)17-14(20)15(18)21/h1-6,9H,7-8H2,(H,16,19)(H,17,20)
InChIKeyBMHYPVRCBJIAGI-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.18
Rot. Bonds4

About N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 110396405) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID110396405
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1cccs1
InChIInChI=1S/C15H13N3O3S/c19-13(12-6-3-9-22-12)16-7-8-18-11-5-2-1-4-10(11)17-14(20)15(18)21/h1-6,9H,7-8H2,(H,16,19)(H,17,20)
InChIKeyBMHYPVRCBJIAGI-UHFFFAOYSA-N
XLogP1.18
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide (CID 110396405) is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1cccs1.
What is the InChIKey of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is BMHYPVRCBJIAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-13(12-6-3-9-22-12)16-7-8-18-11-5-2-1-4-10(11)17-14(20)15(18)21/h1-6,9H,7-8H2,(H,16,19)(H,17,20).
What are the key properties of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 110396405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).