N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide

C23H27N3O4S — CID 4216749

IUPACN-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/Cc2ccc(OC)cc2)S1
InChIInChI=1S/C23H27N3O4S/c1-4-24-22(28)20-13-21(27)26(15-17-7-11-19(30-3)12-8-17)23(31-20)25-14-16-5-9-18(29-2)10-6-16/h5-12,20H,4,13-15H2,1-3H3,(H,24,28)/b25-23-
InChIKeyVMEPYDLJAFYXOL-BZZOAKBMSA-N
MW441.55 g/mol
LogP3.23
Rot. Bonds8

About N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide

N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 4216749) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID4216749
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/Cc2ccc(OC)cc2)S1
InChIInChI=1S/C23H27N3O4S/c1-4-24-22(28)20-13-21(27)26(15-17-7-11-19(30-3)12-8-17)23(31-20)25-14-16-5-9-18(29-2)10-6-16/h5-12,20H,4,13-15H2,1-3H3,(H,24,28)/b25-23-
InChIKeyVMEPYDLJAFYXOL-BZZOAKBMSA-N
XLogP3.23
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6S)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 1131844
2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 5060945
(6S)-3-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1131830
(6S)-3-[(4-methoxyphenyl)methyl]-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 42588772
methyl 4-[[2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 4232702
N-(3,5-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4677575
3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazinane-6-carboxamide
CID 5165231
3-benzyl-N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4275024
2-(3-chlorophenyl)imino-N-ethyl-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
CID 3587259
4-[[(6R)-2-(4-ethoxycarbonylphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 98060607
(6S)-2-(2-fluorophenyl)imino-N-(2-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
CID 40938604
(6R)-3-benzyl-N-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 27904969

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide (CID 4216749) is N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide is CCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/Cc2ccc(OC)cc2)S1.
What is the InChIKey of N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is VMEPYDLJAFYXOL-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-4-24-22(28)20-13-21(27)26(15-17-7-11-19(30-3)12-8-17)23(31-20)25-14-16-5-9-18(29-2)10-6-16/h5-12,20H,4,13-15H2,1-3H3,(H,24,28)/b25-23-.
What are the key properties of N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 4216749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).