N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide

C15H13FN2O3S — CID 110729770

IUPACN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1cc(F)cc2c1OCC(=O)N2
InChIInChI=1S/C15H13FN2O3S/c16-9-6-11(15-12(7-9)18-14(20)8-21-15)17-13(19)4-3-10-2-1-5-22-10/h1-2,5-7H,3-4,8H2,(H,17,19)(H,18,20)
InChIKeyLYZOESAUCKNORB-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.79
Rot. Bonds4

About N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide

N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide (PubChem CID 110729770) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide
PubChem CID110729770
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC NameN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1cc(F)cc2c1OCC(=O)N2
InChIInChI=1S/C15H13FN2O3S/c16-9-6-11(15-12(7-9)18-14(20)8-21-15)17-13(19)4-3-10-2-1-5-22-10/h1-2,5-7H,3-4,8H2,(H,17,19)(H,18,20)
InChIKeyLYZOESAUCKNORB-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide
CID 110729780
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide
CID 110729776
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide
CID 110729773
N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
CID 103753352
8-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one
CID 110664146
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
3-oxo-N-(2-thiophen-2-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 110763768
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529533
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
N-(2-methyl-5-morpholin-4-ylphenyl)-3-thiophen-2-ylpropanamide
CID 110362509
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide (CID 110729770) is N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1cc(F)cc2c1OCC(=O)N2.
What is the InChIKey of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is LYZOESAUCKNORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c16-9-6-11(15-12(7-9)18-14(20)8-21-15)17-13(19)4-3-10-2-1-5-22-10/h1-2,5-7H,3-4,8H2,(H,17,19)(H,18,20).
What are the key properties of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide?
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 320.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110729770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).