methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate

C18H16N2O4S — CID 2242136

IUPACmethyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C18H16N2O4S/c1-24-18(23)11-6-2-3-7-12(11)19-16(21)10-15-17(22)20-13-8-4-5-9-14(13)25-15/h2-9,15H,10H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyUEELVVNQPFROIB-HNNXBMFYSA-N
MW356.40 g/mol
LogP2.91
Rot. Bonds4

About methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate

methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate (PubChem CID 2242136) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
PubChem CID2242136
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Namemethyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C18H16N2O4S/c1-24-18(23)11-6-2-3-7-12(11)19-16(21)10-15-17(22)20-13-8-4-5-9-14(13)25-15/h2-9,15H,10H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyUEELVVNQPFROIB-HNNXBMFYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate 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

2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide
CID 51134753
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
methyl 2-[[2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
CID 140511252
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
methyl 5-ethyl-2-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylate
CID 1093106
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
ethyl 2-[[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 1188525
ethyl 2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
CID 2918421
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2852355
N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1289338
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26877317
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate (CID 2242136) is methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O.
What is the InChIKey of methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate?
The InChIKey is UEELVVNQPFROIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-24-18(23)11-6-2-3-7-12(11)19-16(21)10-15-17(22)20-13-8-4-5-9-14(13)25-15/h2-9,15H,10H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate?
methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate has a molecular weight of 356.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate is sourced from PubChem (CID 2242136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).