N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

C17H14F2N2O2S — CID 9210299

IUPACN-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N2O2S/c18-12-6-5-11(9-13(12)19)20-16(22)7-8-21-14-3-1-2-4-15(14)24-10-17(21)23/h1-6,9H,7-8,10H2,(H,20,22)
InChIKeyQPKCDMUXSIOYMJ-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.43
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (PubChem CID 9210299) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
PubChem CID9210299
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC NameN-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N2O2S/c18-12-6-5-11(9-13(12)19)20-16(22)7-8-21-14-3-1-2-4-15(14)24-10-17(21)23/h1-6,9H,7-8,10H2,(H,20,22)
InChIKeyQPKCDMUXSIOYMJ-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
CID 29331567
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide
CID 31031128
N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9328731
3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide
CID 170640017
ethyl 3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 34202240
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210880
propyl 4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 27669347
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811
[2-(3-chloroanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921452
N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 170639935
N-(3-amino-4-fluorophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
CID 16782886

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide (CID 9210299) is N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
The InChIKey is QPKCDMUXSIOYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c18-12-6-5-11(9-13(12)19)20-16(22)7-8-21-14-3-1-2-4-15(14)24-10-17(21)23/h1-6,9H,7-8,10H2,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide?
N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide has a molecular weight of 348.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide is sourced from PubChem (CID 9210299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).