N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide

C23H27N3O3S — CID 4677322

IUPACN-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCOc1ccc(/N=C2\SC(C(=O)Nc3ccc(C)cc3C)CC(=O)N2CC)cc1
InChIInChI=1S/C23H27N3O3S/c1-5-26-21(27)14-20(22(28)25-19-12-7-15(3)13-16(19)4)30-23(26)24-17-8-10-18(11-9-17)29-6-2/h7-13,20H,5-6,14H2,1-4H3,(H,25,28)/b24-23-
InChIKeyFUJXHEDXXOUPBR-VHXPQNKSSA-N
MW425.55 g/mol
LogP4.68
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide

N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 4677322) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID4677322
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCOc1ccc(/N=C2\SC(C(=O)Nc3ccc(C)cc3C)CC(=O)N2CC)cc1
InChIInChI=1S/C23H27N3O3S/c1-5-26-21(27)14-20(22(28)25-19-12-7-15(3)13-16(19)4)30-23(26)24-17-8-10-18(11-9-17)29-6-2/h7-13,20H,5-6,14H2,1-4H3,(H,25,28)/b24-23-
InChIKeyFUJXHEDXXOUPBR-VHXPQNKSSA-N
XLogP4.68
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.68
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

2-(3-chloro-4-methylphenyl)imino-N-(2,4-dimethylphenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 4161921
(6R)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 1128940
(6S)-N-(3-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 41066965
N-(4-ethoxyphenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 3139591
(6S)-2-(3,5-dichlorophenyl)imino-N-(4-ethoxyphenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 41244933
(6S)-N-(3-ethoxyphenyl)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 1130064
(6S)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 25305924
2-[4-[chloro(difluoro)methoxy]phenyl]imino-N-(2,4-dimethylphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3453002
(6R)-2-(4-ethoxyphenyl)imino-N-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide
CID 98121433
(6R)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dimethylphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 92847531
(6S)-N-(4-bromophenyl)-3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 1130050
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazinane-6-carboxamide
CID 5123263

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 4677322) is N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide is CCOc1ccc(/N=C2\SC(C(=O)Nc3ccc(C)cc3C)CC(=O)N2CC)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is FUJXHEDXXOUPBR-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-5-26-21(27)14-20(22(28)25-19-12-7-15(3)13-16(19)4)30-23(26)24-17-8-10-18(11-9-17)29-6-2/h7-13,20H,5-6,14H2,1-4H3,(H,25,28)/b24-23-.
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?
N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 4677322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).