3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide

C22H19N3O2S — CID 170640017

IUPAC3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C22H19N3O2S/c26-21(12-14-25-19-6-1-2-7-20(19)28-15-22(25)27)24-17-10-8-16(9-11-17)18-5-3-4-13-23-18/h1-11,13H,12,14-15H2,(H,24,26)
InChIKeyKSTRLABFBWYPTL-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.22
Rot. Bonds5

About 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide

3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide (PubChem CID 170640017) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide
PubChem CID170640017
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C22H19N3O2S/c26-21(12-14-25-19-6-1-2-7-20(19)28-15-22(25)27)24-17-10-8-16(9-11-17)18-5-3-4-13-23-18/h1-11,13H,12,14-15H2,(H,24,26)
InChIKeyKSTRLABFBWYPTL-UHFFFAOYSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-imidazol-2-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 170639935
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210880
N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210299
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
propyl 4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 27669347
N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
CID 29331567
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811
ethyl 3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 34202240
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 27667405
[2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673538

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide?
The IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide (CID 170640017) is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide is O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide?
The InChIKey is KSTRLABFBWYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-21(12-14-25-19-6-1-2-7-20(19)28-15-22(25)27)24-17-10-8-16(9-11-17)18-5-3-4-13-23-18/h1-11,13H,12,14-15H2,(H,24,26).
What are the key properties of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide?
3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide has a molecular weight of 389.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide is sourced from PubChem (CID 170640017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).