(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

C20H19Cl2N3O3S — CID 1213047

IUPAC(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)Nc2cccc(OC)c2)S/C1=N\c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H19Cl2N3O3S/c1-3-25-18(26)11-17(19(27)23-14-5-4-6-16(10-14)28-2)29-20(25)24-15-8-12(21)7-13(22)9-15/h4-10,17H,3,11H2,1-2H3,(H,23,27)/b24-20-/t17-/m0/s1
InChIKeyIUUHDISQDQLGGH-DJUDNFEDSA-N
MW452.36 g/mol
LogP4.98
Rot. Bonds5

About (6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 1213047) has the molecular formula C20H19Cl2N3O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is (6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID1213047
Molecular FormulaC20H19Cl2N3O3S
Molecular Weight452.36 g/mol
Exact Mass451.05
IUPAC Name(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)Nc2cccc(OC)c2)S/C1=N\c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H19Cl2N3O3S/c1-3-25-18(26)11-17(19(27)23-14-5-4-6-16(10-14)28-2)29-20(25)24-15-8-12(21)7-13(22)9-15/h4-10,17H,3,11H2,1-2H3,(H,23,27)/b24-20-/t17-/m0/s1
InChIKeyIUUHDISQDQLGGH-DJUDNFEDSA-N
XLogP4.98
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.98
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

N-(3,5-dichlorophenyl)-3-ethyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4142638
(6R)-2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 25305939
3-ethyl-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 5058795
2-(3-chlorophenyl)imino-3-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 4276489
3-ethyl-N-(3-methoxyphenyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
CID 3411040
(6S)-2-(3,5-dichlorophenyl)imino-N-(4-ethoxyphenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 41244933
(6S)-N-(3-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 41066965
methyl 4-[[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 4126418
3-[2-(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)imino-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 4183045
4-[[(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 41244452
(6S)-N-(3-ethoxyphenyl)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 1130064
methyl 4-[[(6S)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CID 1128885

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 1213047) is (6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is CCN1C(=O)C[C@@H](C(=O)Nc2cccc(OC)c2)S/C1=N\c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is IUUHDISQDQLGGH-DJUDNFEDSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S/c1-3-25-18(26)11-17(19(27)23-14-5-4-6-16(10-14)28-2)29-20(25)24-15-8-12(21)7-13(22)9-15/h4-10,17H,3,11H2,1-2H3,(H,23,27)/b24-20-/t17-/m0/s1.
What are the key properties of (6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
(6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 452.36 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(3,5-dichlorophenyl)imino-3-ethyl-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 1213047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).