N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide

C13H10N2O3S — CID 59802926

IUPACN-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
SMILESO=C1COc2cc(NC(=O)c3ccsc3)ccc2N1
InChIInChI=1S/C13H10N2O3S/c16-12-6-18-11-5-9(1-2-10(11)15-12)14-13(17)8-3-4-19-7-8/h1-5,7H,6H2,(H,14,17)(H,15,16)
InChIKeySAHLCCFSPHFVJC-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.33
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide (PubChem CID 59802926) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
PubChem CID59802926
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
SMILESO=C1COc2cc(NC(=O)c3ccsc3)ccc2N1
InChIInChI=1S/C13H10N2O3S/c16-12-6-18-11-5-9(1-2-10(11)15-12)14-13(17)8-3-4-19-7-8/h1-5,7H,6H2,(H,14,17)(H,15,16)
InChIKeySAHLCCFSPHFVJC-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154
6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
CID 59802793
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide
CID 59802843
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26702181
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide
CID 52904693
N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide
CID 59802648
N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 27335225
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide (CID 59802926) is N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide is O=C1COc2cc(NC(=O)c3ccsc3)ccc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide?
The InChIKey is SAHLCCFSPHFVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c16-12-6-18-11-5-9(1-2-10(11)15-12)14-13(17)8-3-4-19-7-8/h1-5,7H,6H2,(H,14,17)(H,15,16).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide is sourced from PubChem (CID 59802926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).