N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide

C17H23N3O3S — CID 647079

IUPACN-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC
InChIInChI=1S/C17H23N3O3S/c1-4-18-17-20(5-2)15(21)11-14(24-17)16(22)19-12-8-7-9-13(10-12)23-6-3/h7-10,14H,4-6,11H2,1-3H3,(H,19,22)/b18-17-
InChIKeyZQDSEQYBRDFNPG-ZCXUNETKSA-N
MW349.46 g/mol
LogP2.75
Rot. Bonds6

About N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide

N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 647079) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID647079
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC
InChIInChI=1S/C17H23N3O3S/c1-4-18-17-20(5-2)15(21)11-14(24-17)16(22)19-12-8-7-9-13(10-12)23-6-3/h7-10,14H,4-6,11H2,1-3H3,(H,19,22)/b18-17-
InChIKeyZQDSEQYBRDFNPG-ZCXUNETKSA-N
XLogP2.75
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.75
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-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (CID 647079) is N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\SC(C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC.
What is the InChIKey of N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is ZQDSEQYBRDFNPG-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-18-17-20(5-2)15(21)11-14(24-17)16(22)19-12-8-7-9-13(10-12)23-6-3/h7-10,14H,4-6,11H2,1-3H3,(H,19,22)/b18-17-.
What are the key properties of N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 647079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).