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

C23H19N3O3S — CID 51134753

IUPAC2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H19N3O3S/c27-21(14-20-23(29)26-18-12-6-7-13-19(18)30-20)25-17-11-5-4-10-16(17)22(28)24-15-8-2-1-3-9-15/h1-13,20H,14H2,(H,24,28)(H,25,27)(H,26,29)
InChIKeyJPUNATKSAWRXBO-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.38
Rot. Bonds5

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

2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide (PubChem CID 51134753) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide
PubChem CID51134753
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H19N3O3S/c27-21(14-20-23(29)26-18-12-6-7-13-19(18)30-20)25-17-11-5-4-10-16(17)22(28)24-15-8-2-1-3-9-15/h1-13,20H,14H2,(H,24,28)(H,25,27)(H,26,29)
InChIKeyJPUNATKSAWRXBO-UHFFFAOYSA-N
XLogP4.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 2242136
1-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-3-phenylurea
CID 2820270
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2852355
N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2945832
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
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
CID 11837209
N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
CID 55867373
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2242401
N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9146240

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide (CID 51134753) is 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide is O=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide?
The InChIKey is JPUNATKSAWRXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-21(14-20-23(29)26-18-12-6-7-13-19(18)30-20)25-17-11-5-4-10-16(17)22(28)24-15-8-2-1-3-9-15/h1-13,20H,14H2,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide?
2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide has a molecular weight of 417.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 51134753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).