N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

C18H19N3O2S — CID 110771553

IUPACN-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C18H19N3O2S/c1-21(2)14-6-4-13(5-7-14)19-17(22)10-12-3-8-16-15(9-12)20-18(23)11-24-16/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFKCOTOQRTMDHEW-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.98
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 110771553) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID110771553
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C18H19N3O2S/c1-21(2)14-6-4-13(5-7-14)19-17(22)10-12-3-8-16-15(9-12)20-18(23)11-24-16/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFKCOTOQRTMDHEW-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771530
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771540
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
1-methyl-1-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115168419
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 62837216
N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
CID 115191337
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79286230
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771492

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 110771553) is N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is CN(C)c1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CS3)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is FKCOTOQRTMDHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21(2)14-6-4-13(5-7-14)19-17(22)10-12-3-8-16-15(9-12)20-18(23)11-24-16/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 110771553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).