3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide

C19H20N2O2S — CID 4004507

IUPAC3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CN2C(=O)CSc3ccccc32)c1
InChIInChI=1S/C19H20N2O2S/c1-2-10-20-19(23)15-7-5-6-14(11-15)12-21-16-8-3-4-9-17(16)24-13-18(21)22/h3-9,11H,2,10,12-13H2,1H3,(H,20,23)
InChIKeyFTXWJEXPLHFZHI-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.47
Rot. Bonds5

About 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide

3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide (PubChem CID 4004507) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide
PubChem CID4004507
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CN2C(=O)CSc3ccccc32)c1
InChIInChI=1S/C19H20N2O2S/c1-2-10-20-19(23)15-7-5-6-14(11-15)12-21-16-8-3-4-9-17(16)24-13-18(21)22/h3-9,11H,2,10,12-13H2,1H3,(H,20,23)
InChIKeyFTXWJEXPLHFZHI-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide 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

4-benzyl-N-(3-ethoxypropyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4095111
N-(3-methoxypropyl)-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5233304
2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
CID 18162798
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654281
3-[[(6aR)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methyl]-N-propylbenzamide
CID 93061790
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4090601
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 36714452
3-[[3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 55542816
4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4693483
4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-(2-phenylethyl)-1,4-benzothiazine-6-carboxamide
CID 3369825
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(4-ethylphenyl)benzamide
CID 31401224
N-cyclooctyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4156781

Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide?
The IUPAC name of 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide (CID 4004507) is 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(CN2C(=O)CSc3ccccc32)c1.
What is the InChIKey of 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide?
The InChIKey is FTXWJEXPLHFZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-10-20-19(23)15-7-5-6-14(11-15)12-21-16-8-3-4-9-17(16)24-13-18(21)22/h3-9,11H,2,10,12-13H2,1H3,(H,20,23).
What are the key properties of 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide?
3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 4004507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).