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

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35673207
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35673203
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)thiophene-3-carboxamide
CID 71842958
N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
CID 59802926
4-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzamide
CID 40887320
4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20995425
4-ethyl-6-fluoro-1,4-benzoxazin-3-one
CID 59525216
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 118776043
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-pyridin-2-ylpropyl)urea
CID 118782796
N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide
CID 110493196
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806

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).