2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide

C17H14F2N2OS2 — CID 51236742

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
SMILESCC(SC1=Nc2ccccc2CS1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2OS2/c1-10(16(22)20-15-7-6-12(18)8-13(15)19)24-17-21-14-5-3-2-4-11(14)9-23-17/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyAWXAUMCYTMBINN-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.96
Rot. Bonds3

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide (PubChem CID 51236742) has the molecular formula C17H14F2N2OS2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
PubChem CID51236742
Molecular FormulaC17H14F2N2OS2
Molecular Weight364.44 g/mol
Exact Mass364.05
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide
SMILESCC(SC1=Nc2ccccc2CS1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2OS2/c1-10(16(22)20-15-7-6-12(18)8-13(15)19)24-17-21-14-5-3-2-4-11(14)9-23-17/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyAWXAUMCYTMBINN-UHFFFAOYSA-N
XLogP4.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chlorophenyl)propanamide
CID 46626799
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-chlorophenyl)propanamide
CID 46613880
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 46626706
(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7633893
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
N-(2,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630035
(2S)-N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890306
(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935846
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 8985865
(2R)-2-(2,5-difluorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 8870293

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide (CID 51236742) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide is CC(SC1=Nc2ccccc2CS1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is AWXAUMCYTMBINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2OS2/c1-10(16(22)20-15-7-6-12(18)8-13(15)19)24-17-21-14-5-3-2-4-11(14)9-23-17/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 364.44 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 51236742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).