N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide

C20H21N3O3S — CID 29331567

IUPACN,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CCN2C(=O)CSc3ccccc32)c1
InChIInChI=1S/C20H21N3O3S/c1-22(2)20(26)14-6-5-7-15(12-14)21-18(24)10-11-23-16-8-3-4-9-17(16)27-13-19(23)25/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyUBNICUIRWVYOJT-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.86
Rot. Bonds5

About N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide

N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide (PubChem CID 29331567) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
PubChem CID29331567
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CCN2C(=O)CSc3ccccc32)c1
InChIInChI=1S/C20H21N3O3S/c1-22(2)20(26)14-6-5-7-15(12-14)21-18(24)10-11-23-16-8-3-4-9-17(16)27-13-19(23)25/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyUBNICUIRWVYOJT-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 34202240
N-(3,4-difluorophenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210299
N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9328731
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811
propyl 4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate
CID 27669347
4-[2-(3-methoxyanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777148
3-(3-oxo-1,4-benzothiazin-4-yl)-N-quinolin-3-ylpropanamide
CID 31031128
3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide
CID 170640017
[2-(3-chloroanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921452
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9210880
N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51194798

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide (CID 29331567) is N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide is CN(C)C(=O)c1cccc(NC(=O)CCN2C(=O)CSc3ccccc32)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide?
The InChIKey is UBNICUIRWVYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-22(2)20(26)14-6-5-7-15(12-14)21-18(24)10-11-23-16-8-3-4-9-17(16)27-13-19(23)25/h3-9,12H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide?
N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide has a molecular weight of 383.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide is sourced from PubChem (CID 29331567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).