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

C20H20FN3O3S — CID 7025950

IUPAC(6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/c2ccc(F)cc2)S1
InChIInChI=1S/C20H20FN3O3S/c1-22-19(26)17-11-18(25)24(12-13-3-9-16(27-2)10-4-13)20(28-17)23-15-7-5-14(21)6-8-15/h3-10,17H,11-12H2,1-2H3,(H,22,26)/b23-20-/t17-/m1/s1
InChIKeyJYNPRFCGOZMPIM-HLGQQVFSSA-N
MW401.46 g/mol
LogP3.10
Rot. Bonds5

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

(6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 7025950) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is (6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID7025950
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name(6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/c2ccc(F)cc2)S1
InChIInChI=1S/C20H20FN3O3S/c1-22-19(26)17-11-18(25)24(12-13-3-9-16(27-2)10-4-13)20(28-17)23-15-7-5-14(21)6-8-15/h3-10,17H,11-12H2,1-2H3,(H,22,26)/b23-20-/t17-/m1/s1
InChIKeyJYNPRFCGOZMPIM-HLGQQVFSSA-N
XLogP3.10
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.10
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

(2Z)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
CID 3695704
N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 644392
(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
CID 647932
(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 648556
(2Z)-N-ethyl-3-(4-fluorobenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
CID 649352
(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 655737
(2Z)-3-benzyl-2-[(4-methoxyphenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 661505
(2Z)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139951
N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139957
3-[2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3141790
3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[(Z)-4-methoxy-phenylimino]-4-oxo-[1,3]thiazinane-6-carboxylic acid amide
CID 3141791
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
CID 3141795

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 7025950) is (6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide is CNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/c2ccc(F)cc2)S1.
What is the InChIKey of (6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is JYNPRFCGOZMPIM-HLGQQVFSSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-22-19(26)17-11-18(25)24(12-13-3-9-16(27-2)10-4-13)20(28-17)23-15-7-5-14(21)6-8-15/h3-10,17H,11-12H2,1-2H3,(H,22,26)/b23-20-/t17-/m1/s1.
What are the key properties of (6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
(6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 7025950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).