2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide

C20H20ClN3O3S — CID 3605053

IUPAC2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)c1
InChIInChI=1S/C20H20ClN3O3S/c1-12-7-8-14(10-16(12)21)23-20-24(2)18(25)11-17(28-20)19(26)22-13-5-4-6-15(9-13)27-3/h4-10,17H,11H2,1-3H3,(H,22,26)/b23-20-
InChIKeyOUGUEVSHQQGEAI-ATJXCDBQSA-N
MW417.92 g/mol
LogP4.25
Rot. Bonds4

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

2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3605053) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3605053
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)c1
InChIInChI=1S/C20H20ClN3O3S/c1-12-7-8-14(10-16(12)21)23-20-24(2)18(25)11-17(28-20)19(26)22-13-5-4-6-15(9-13)27-3/h4-10,17H,11H2,1-3H3,(H,22,26)/b23-20-
InChIKeyOUGUEVSHQQGEAI-ATJXCDBQSA-N
XLogP4.25
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.25
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

(6S)-2-(3-chloro-4-methylphenyl)imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1421266
(6R)-N-(3-chlorophenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114298
2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3352123
N-(3-ethoxyphenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3140011
2-(1,3-benzodioxol-5-ylimino)-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 4109125
2-(4-ethoxyphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 5213539
4-[[2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 3139939
(6R)-N-(4-bromophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114350
(6S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 7318148
N-(3-chloro-4-methylphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4061211
(6R)-2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 25305939
3-[[2-(3,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 3739882

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3605053) is 2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is COc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)c1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is OUGUEVSHQQGEAI-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-12-7-8-14(10-16(12)21)23-20-24(2)18(25)11-17(28-20)19(26)22-13-5-4-6-15(9-13)27-3/h4-10,17H,11H2,1-3H3,(H,22,26)/b23-20-.
What are the key properties of 2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)imino-N-(3-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3605053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).