2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide

C25H22N4O5S — CID 135399264

IUPAC2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide
SMILESCOc1ccccc1C(=O)NN=C1NC(=O)CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)S1
InChIInChI=1S/C25H22N4O5S/c1-33-20-10-6-5-9-19(20)23(31)28-29-25-27-22(30)15-21(35-25)24(32)26-16-11-13-18(14-12-16)34-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,26,32)(H,28,31)(H,27,29,30)
InChIKeyRJSPNOSZFOZPNW-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.75
Rot. Bonds7

About 2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide

2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide (PubChem CID 135399264) has the molecular formula C25H22N4O5S and a molecular weight of 490.54 g/mol. Its IUPAC name is 2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide
PubChem CID135399264
Molecular FormulaC25H22N4O5S
Molecular Weight490.54 g/mol
Exact Mass490.13
IUPAC Name2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide
SMILESCOc1ccccc1C(=O)NN=C1NC(=O)CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)S1
InChIInChI=1S/C25H22N4O5S/c1-33-20-10-6-5-9-19(20)23(31)28-29-25-27-22(30)15-21(35-25)24(32)26-16-11-13-18(14-12-16)34-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,26,32)(H,28,31)(H,27,29,30)
InChIKeyRJSPNOSZFOZPNW-UHFFFAOYSA-N
XLogP3.75
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135399274
(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135745670
(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135643202
N-(3,4-dimethylphenyl)-2-[(2-methylbenzoyl)hydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135532961
(6R)-2-[(Z)-benzylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 136755662
N-(4-methoxyphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441449
(2E)-2-(benzylidenehydrazinylidene)-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135698433
(2E,6R)-N-(4-methoxyphenyl)-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 136906143
(2E)-N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135800874
(2Z)-N-(4-ethoxyphenyl)-4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazinane-6-carboxamide
CID 136910669
N-(4-methoxyphenyl)-4-oxo-2-(1-thiophen-2-ylethylidenehydrazinylidene)-1,3-thiazinane-6-carboxamide
CID 135489609
(2Z,6S)-2-[(Z)-1-(3-fluoro-4-methoxyphenyl)ethylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135922555

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide (CID 135399264) is 2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide is COc1ccccc1C(=O)NN=C1NC(=O)CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)S1.
What is the InChIKey of 2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide?
The InChIKey is RJSPNOSZFOZPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5S/c1-33-20-10-6-5-9-19(20)23(31)28-29-25-27-22(30)15-21(35-25)24(32)26-16-11-13-18(14-12-16)34-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,26,32)(H,28,31)(H,27,29,30).
What are the key properties of 2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide?
2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135399264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).