N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide

C17H15N3OS — CID 8591940

IUPACN-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCSc3ccccc32)c1
InChIInChI=1S/C17H15N3OS/c18-11-13-4-3-5-14(10-13)19-17(21)12-20-8-9-22-16-7-2-1-6-15(16)20/h1-7,10H,8-9,12H2,(H,19,21)
InChIKeyWPIYRWLFXKRVHR-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.11
Rot. Bonds3

About N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide

N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide (PubChem CID 8591940) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
PubChem CID8591940
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCSc3ccccc32)c1
InChIInChI=1S/C17H15N3OS/c18-11-13-4-3-5-14(10-13)19-17(21)12-20-8-9-22-16-7-2-1-6-15(16)20/h1-7,10H,8-9,12H2,(H,19,21)
InChIKeyWPIYRWLFXKRVHR-UHFFFAOYSA-N
XLogP3.11
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8591921
N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9245152
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 4785670
1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598308
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8591952
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673671
N-(3-cyanophenyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39060014
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 22577615
N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956537
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide (CID 8591940) is N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide is N#Cc1cccc(NC(=O)CN2CCSc3ccccc32)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is WPIYRWLFXKRVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c18-11-13-4-3-5-14(10-13)19-17(21)12-20-8-9-22-16-7-2-1-6-15(16)20/h1-7,10H,8-9,12H2,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 8591940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).