N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide

C19H19N3O3S — CID 55867373

IUPACN-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-20-18(24)12-7-9-13(10-8-12)21-17(23)11-16-19(25)22-14-5-3-4-6-15(14)26-16/h3-10,16H,2,11H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyQFBKFJHWLWPCCT-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.88
Rot. Bonds5

About N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide

N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide (PubChem CID 55867373) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
PubChem CID55867373
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-20-18(24)12-7-9-13(10-8-12)21-17(23)11-16-19(25)22-14-5-3-4-6-15(14)26-16/h3-10,16H,2,11H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyQFBKFJHWLWPCCT-UHFFFAOYSA-N
XLogP2.88
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1069348
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2960294
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2242401
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165804
2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide
CID 51134753
N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7455818
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide (CID 55867373) is N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide is CCNC(=O)c1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1.
What is the InChIKey of N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide?
The InChIKey is QFBKFJHWLWPCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-20-18(24)12-7-9-13(10-8-12)21-17(23)11-16-19(25)22-14-5-3-4-6-15(14)26-16/h3-10,16H,2,11H2,1H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide?
N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide has a molecular weight of 369.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55867373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).