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

C19H19N3O3S — CID 96998479

IUPAC3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C19H19N3O3S/c1-22(11-12-5-4-6-13(9-12)18(20)24)17(23)10-16-19(25)21-14-7-2-3-8-15(14)26-16/h2-9,16H,10-11H2,1H3,(H2,20,24)(H,21,25)/t16-/m1/s1
InChIKeyKQKSAXJINADDBI-MRXNPFEDSA-N
MW369.45 g/mol
LogP2.25
Rot. Bonds5

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

3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide (PubChem CID 96998479) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide
PubChem CID96998479
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C19H19N3O3S/c1-22(11-12-5-4-6-13(9-12)18(20)24)17(23)10-16-19(25)21-14-7-2-3-8-15(14)26-16/h2-9,16H,10-11H2,1H3,(H2,20,24)(H,21,25)/t16-/m1/s1
InChIKeyKQKSAXJINADDBI-MRXNPFEDSA-N
XLogP2.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3-carbamoylphenyl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 55641778
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51181536
N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 9437479
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27774120
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 8008349
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27824819
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9469771
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9182914
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 693708
2-methyl-3-[methyl-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]propanoic acid
CID 119228643
N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55549734
N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 40954509

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide?
The IUPAC name of 3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide (CID 96998479) is 3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide is CN(Cc1cccc(C(N)=O)c1)C(=O)C[C@H]1Sc2ccccc2NC1=O.
What is the InChIKey of 3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide?
The InChIKey is KQKSAXJINADDBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-22(11-12-5-4-6-13(9-12)18(20)24)17(23)10-16-19(25)21-14-7-2-3-8-15(14)26-16/h2-9,16H,10-11H2,1H3,(H2,20,24)(H,21,25)/t16-/m1/s1.
What are the key properties of 3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide?
3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide has a molecular weight of 369.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 96998479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).