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

C20H20N4O4S — CID 135399274

IUPAC2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccccc1C(=O)NN=C1NC(=O)CC(C(=O)Nc2cccc(C)c2)S1
InChIInChI=1S/C20H20N4O4S/c1-12-6-5-7-13(10-12)21-19(27)16-11-17(25)22-20(29-16)24-23-18(26)14-8-3-4-9-15(14)28-2/h3-10,16H,11H2,1-2H3,(H,21,27)(H,23,26)(H,22,24,25)
InChIKeyRMYNCQMLFJEDQP-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.26
Rot. Bonds5

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

2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135399274) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135399274
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccccc1C(=O)NN=C1NC(=O)CC(C(=O)Nc2cccc(C)c2)S1
InChIInChI=1S/C20H20N4O4S/c1-12-6-5-7-13(10-12)21-19(27)16-11-17(25)22-20(29-16)24-23-18(26)14-8-3-4-9-15(14)28-2/h3-10,16H,11H2,1-2H3,(H,21,27)(H,23,26)(H,22,24,25)
InChIKeyRMYNCQMLFJEDQP-UHFFFAOYSA-N
XLogP2.26
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide
CID 135399264
N-(3,4-dimethylphenyl)-2-[(2-methylbenzoyl)hydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135532961
(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135745670
(2E)-2-(benzylidenehydrazinylidene)-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135698433
(6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 137199752
(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135643202
(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135608984
(6S)-N-(3-fluorophenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135665631
(2E)-N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135800874
(2E,6R)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135740633
(6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135585016
(2S)-N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 46997763

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 135399274) is 2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is COc1ccccc1C(=O)NN=C1NC(=O)CC(C(=O)Nc2cccc(C)c2)S1.
What is the InChIKey of 2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is RMYNCQMLFJEDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-12-6-5-7-13(10-12)21-19(27)16-11-17(25)22-20(29-16)24-23-18(26)14-8-3-4-9-15(14)28-2/h3-10,16H,11H2,1-2H3,(H,21,27)(H,23,26)(H,22,24,25).
What are the key properties of 2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135399274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).