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

C20H21N3O4S — CID 3139971

IUPACN-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccccc1/N=C1\SC(C(=O)Nc2ccccc2OC)CC(=O)N1C
InChIInChI=1S/C20H21N3O4S/c1-23-18(24)12-17(19(25)21-13-8-4-6-10-15(13)26-2)28-20(23)22-14-9-5-7-11-16(14)27-3/h4-11,17H,12H2,1-3H3,(H,21,25)/b22-20-
InChIKeyYPDVQKMOQZIJMI-XDOYNYLZSA-N
MW399.47 g/mol
LogP3.29
Rot. Bonds5

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

N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3139971) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3139971
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccccc1/N=C1\SC(C(=O)Nc2ccccc2OC)CC(=O)N1C
InChIInChI=1S/C20H21N3O4S/c1-23-18(24)12-17(19(25)21-13-8-4-6-10-15(13)26-2)28-20(23)22-14-9-5-7-11-16(14)27-3/h4-11,17H,12H2,1-3H3,(H,21,25)/b22-20-
InChIKeyYPDVQKMOQZIJMI-XDOYNYLZSA-N
XLogP3.29
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.29
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

(2Z)-N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
CID 3240095
3-(2-methoxyphenyl)-N-phenyl-1,3-thiazinan-2-imine
CID 302451
(2Z)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
CID 3695704
2-[(5-benzyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 1073879
3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2166593
2-[(2E)-2-[(4-Ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-YL]-N-phenylacetamide
CID 135472706
N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 644392
2-(5-Acetylamino-4,6-dioxo-1,4,5,6-tetrahydro-pyrimidin-2-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 648719
(2Z)-N-ethyl-3-(4-fluorobenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
CID 649352
N-cyano-N'-propan-2-ylcarbamimidothioic acid [2-(2-methoxyanilino)-2-oxoethyl] ester
CID 660496
(2Z)-3-benzyl-2-[(4-methoxyphenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 661505
N-(4-fluorophenyl)-2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155253

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3139971) is N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is COc1ccccc1/N=C1\SC(C(=O)Nc2ccccc2OC)CC(=O)N1C.
What is the InChIKey of N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is YPDVQKMOQZIJMI-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-23-18(24)12-17(19(25)21-13-8-4-6-10-15(13)26-2)28-20(23)22-14-9-5-7-11-16(14)27-3/h4-11,17H,12H2,1-3H3,(H,21,25)/b22-20-.
What are the key properties of N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3139971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).