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

C20H21N3O3S — CID 135398935

IUPAC2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCc1ccc(/N=C2/NC(=O)CC(C(=O)Nc3ccc(OC)cc3)S2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-13-4-6-15(7-5-13)22-20-23-18(24)12-17(27-20)19(25)21-14-8-10-16(26-2)11-9-14/h4-11,17H,3,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyHFKMLDQGTZTFSU-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.51
Rot. Bonds5

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

2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135398935) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135398935
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCc1ccc(/N=C2/NC(=O)CC(C(=O)Nc3ccc(OC)cc3)S2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-13-4-6-15(7-5-13)22-20-23-18(24)12-17(27-20)19(25)21-14-8-10-16(26-2)11-9-14/h4-11,17H,3,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyHFKMLDQGTZTFSU-UHFFFAOYSA-N
XLogP3.51
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
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 2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 135398935) is 2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is CCc1ccc(/N=C2/NC(=O)CC(C(=O)Nc3ccc(OC)cc3)S2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is HFKMLDQGTZTFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-13-4-6-15(7-5-13)22-20-23-18(24)12-17(27-20)19(25)21-14-8-10-16(26-2)11-9-14/h4-11,17H,3,12H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)imino-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135398935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).