2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide

C15H18N2O3S — CID 7456367

IUPAC2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C[C@H]1Sc2cc(OCC)ccc2NC1=O
InChIInChI=1S/C15H18N2O3S/c1-3-7-16-14(18)9-13-15(19)17-11-6-5-10(20-4-2)8-12(11)21-13/h3,5-6,8,13H,1,4,7,9H2,2H3,(H,16,18)(H,17,19)/t13-/m1/s1
InChIKeyBXYNYVCJCZDHDL-CYBMUJFWSA-N
MW306.39 g/mol
LogP2.19
Rot. Bonds6

About 2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide

2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide (PubChem CID 7456367) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide
PubChem CID7456367
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C[C@H]1Sc2cc(OCC)ccc2NC1=O
InChIInChI=1S/C15H18N2O3S/c1-3-7-16-14(18)9-13-15(19)17-11-6-5-10(20-4-2)8-12(11)21-13/h3,5-6,8,13H,1,4,7,9H2,2H3,(H,16,18)(H,17,19)/t13-/m1/s1
InChIKeyBXYNYVCJCZDHDL-CYBMUJFWSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(2-nitrophenyl)acetamide
CID 7454627
2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide
CID 7455836
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 52510370
2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide
CID 23994290
ethyl 2-(7-methyl-3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 10333090
N-(4-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220298
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 92785319
N-[2-(3-fluorophenoxy)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55657436
N-(3-butoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165918
N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide (CID 7456367) is 2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide is C=CCNC(=O)C[C@H]1Sc2cc(OCC)ccc2NC1=O.
What is the InChIKey of 2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide?
The InChIKey is BXYNYVCJCZDHDL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-7-16-14(18)9-13-15(19)17-11-6-5-10(20-4-2)8-12(11)21-13/h3,5-6,8,13H,1,4,7,9H2,2H3,(H,16,18)(H,17,19)/t13-/m1/s1.
What are the key properties of 2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide?
2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide has a molecular weight of 306.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 7456367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).