N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

C19H19N3O3S — CID 3139917

IUPACN-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1
InChIInChI=1S/C19H19N3O3S/c1-22-17(23)12-16(26-19(22)21-13-6-4-3-5-7-13)18(24)20-14-8-10-15(25-2)11-9-14/h3-11,16H,12H2,1-2H3,(H,20,24)/b21-19-
InChIKeyWRUHFNOWONONRI-VZCXRCSSSA-N
MW369.45 g/mol
LogP3.29
Rot. Bonds4

About N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (PubChem CID 3139917) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
PubChem CID3139917
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1
InChIInChI=1S/C19H19N3O3S/c1-22-17(23)12-16(26-19(22)21-13-6-4-3-5-7-13)18(24)20-14-8-10-15(25-2)11-9-14/h3-11,16H,12H2,1-2H3,(H,20,24)/b21-19-
InChIKeyWRUHFNOWONONRI-VZCXRCSSSA-N
XLogP3.29
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3523859
(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 699214
(6R)-2-(3-fluorophenyl)imino-N-(4-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114290
(6S)-N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114374
4-[[2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 3139939
(6R)-N-(3-chlorophenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114298
(6R)-N-(4-bromophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114350
(6R)-N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 92847595
(6S)-3-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 42588772
(6S)-2-(1,3-benzodioxol-5-ylimino)-N-(4-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1133398
N-(4-iodophenyl)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 3282223
N-(3-chloro-4-methylphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4061211

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (CID 3139917) is N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The InChIKey is WRUHFNOWONONRI-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-22-17(23)12-16(26-19(22)21-13-6-4-3-5-7-13)18(24)20-14-8-10-15(25-2)11-9-14/h3-11,16H,12H2,1-2H3,(H,20,24)/b21-19-.
What are the key properties of N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3139917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).