N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide

C15H14N2O3S — CID 52904693

IUPACN-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide
SMILESCCN1C(=O)COc2ccc(NC(=O)c3ccsc3)cc21
InChIInChI=1S/C15H14N2O3S/c1-2-17-12-7-11(3-4-13(12)20-8-14(17)18)16-15(19)10-5-6-21-9-10/h3-7,9H,2,8H2,1H3,(H,16,19)
InChIKeySUBWNQFKPAPEMP-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.75
Rot. Bonds3

About N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide

N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide (PubChem CID 52904693) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide
PubChem CID52904693
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide
SMILESCCN1C(=O)COc2ccc(NC(=O)c3ccsc3)cc21
InChIInChI=1S/C15H14N2O3S/c1-2-17-12-7-11(3-4-13(12)20-8-14(17)18)16-15(19)10-5-6-21-9-10/h3-7,9H,2,8H2,1H3,(H,16,19)
InChIKeySUBWNQFKPAPEMP-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide?
The IUPAC name of N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide (CID 52904693) is N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide is CCN1C(=O)COc2ccc(NC(=O)c3ccsc3)cc21.
What is the InChIKey of N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide?
The InChIKey is SUBWNQFKPAPEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-17-12-7-11(3-4-13(12)20-8-14(17)18)16-15(19)10-5-6-21-9-10/h3-7,9H,2,8H2,1H3,(H,16,19).
What are the key properties of N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide?
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide is sourced from PubChem (CID 52904693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).