N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

C20H21N3O3S — CID 3240095

IUPACN-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESCCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccccc3)S2)c1
InChIInChI=1S/C20H21N3O3S/c1-3-26-16-11-7-10-15(12-16)21-19(25)17-13-18(24)23(2)20(27-17)22-14-8-5-4-6-9-14/h4-12,17H,3,13H2,1-2H3,(H,21,25)/b22-20-
InChIKeyDCPLUCSKYAHSDW-XDOYNYLZSA-N
MW383.47 g/mol
LogP3.68
Rot. Bonds5

About N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (PubChem CID 3240095) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
PubChem CID3240095
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILESCCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccccc3)S2)c1
InChIInChI=1S/C20H21N3O3S/c1-3-26-16-11-7-10-15(12-16)21-19(25)17-13-18(24)23(2)20(27-17)22-14-8-5-4-6-9-14/h4-12,17H,3,13H2,1-2H3,(H,21,25)/b22-20-
InChIKeyDCPLUCSKYAHSDW-XDOYNYLZSA-N
XLogP3.68
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (CID 3240095) is N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is CCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccccc3)S2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
The InChIKey is DCPLUCSKYAHSDW-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-26-16-11-7-10-15(12-16)21-19(25)17-13-18(24)23(2)20(27-17)22-14-8-5-4-6-9-14/h4-12,17H,3,13H2,1-2H3,(H,21,25)/b22-20-.
What are the key properties of N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide?
N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3240095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).