N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C19H19N3O3S — CID 7347926

IUPACN-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCCOc1ccccc1/C=N\NC(=O)C[C@@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C19H19N3O3S/c1-2-25-15-9-5-3-7-13(15)12-20-22-18(23)11-17-19(24)21-14-8-4-6-10-16(14)26-17/h3-10,12,17H,2,11H2,1H3,(H,21,24)(H,22,23)/b20-12-/t17-/m0/s1
InChIKeySVRDHSSWWNVREE-BRLDDBHUSA-N
MW369.45 g/mol
LogP3.04
Rot. Bonds6

About N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 7347926) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID7347926
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCCOc1ccccc1/C=N\NC(=O)C[C@@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C19H19N3O3S/c1-2-25-15-9-5-3-7-13(15)12-20-22-18(23)11-17-19(24)21-14-8-4-6-10-16(14)26-17/h3-10,12,17H,2,11H2,1H3,(H,21,24)(H,22,23)/b20-12-/t17-/m0/s1
InChIKeySVRDHSSWWNVREE-BRLDDBHUSA-N
XLogP3.04
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 3405175
N-[(E)-(2,5-dimethylphenyl)methylideneamino]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 42666514
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 93116086
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide
CID 23994290
tert-butyl [4-[(E)-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]hydrazinylidene]methyl]phenyl] carbonate
CID 45108925
N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 17410958
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 7347926) is N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is CCOc1ccccc1/C=N\NC(=O)C[C@@H]1Sc2ccccc2NC1=O.
What is the InChIKey of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is SVRDHSSWWNVREE-BRLDDBHUSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-25-15-9-5-3-7-13(15)12-20-22-18(23)11-17-19(24)21-14-8-4-6-10-16(14)26-17/h3-10,12,17H,2,11H2,1H3,(H,21,24)(H,22,23)/b20-12-/t17-/m0/s1.
What are the key properties of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 7347926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).