3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide

C17H15FN2O2S2 — CID 38723282

IUPAC3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESO=C(CCSc1ccccc1F)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H15FN2O2S2/c18-12-3-1-2-4-14(12)23-8-7-16(21)19-11-5-6-15-13(9-11)20-17(22)10-24-15/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyVTTCCXQSFDJEOF-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.99
Rot. Bonds5

About 3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide

3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (PubChem CID 38723282) has the molecular formula C17H15FN2O2S2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
PubChem CID38723282
Molecular FormulaC17H15FN2O2S2
Molecular Weight362.45 g/mol
Exact Mass362.06
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESO=C(CCSc1ccccc1F)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H15FN2O2S2/c18-12-3-1-2-4-14(12)23-8-7-16(21)19-11-5-6-15-13(9-11)20-17(22)10-24-15/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyVTTCCXQSFDJEOF-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 35875716
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
CID 31721130
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740
3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 35875429
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]butan-2-yl]benzamide
CID 31721153
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide
CID 37015324
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79286230

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (CID 38723282) is 3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is O=C(CCSc1ccccc1F)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The InChIKey is VTTCCXQSFDJEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S2/c18-12-3-1-2-4-14(12)23-8-7-16(21)19-11-5-6-15-13(9-11)20-17(22)10-24-15/h1-6,9H,7-8,10H2,(H,19,21)(H,20,22).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide has a molecular weight of 362.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is sourced from PubChem (CID 38723282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).