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

C19H18ClN3O3S — CID 3139928

IUPACN-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1cccc(/N=C2\SC(C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)c1
InChIInChI=1S/C19H18ClN3O3S/c1-23-17(24)11-16(18(25)21-13-6-3-5-12(20)9-13)27-19(23)22-14-7-4-8-15(10-14)26-2/h3-10,16H,11H2,1-2H3,(H,21,25)/b22-19-
InChIKeyHRXANZMMHZYOBH-QOCHGBHMSA-N
MW403.89 g/mol
LogP3.94
Rot. Bonds4

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

N-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3139928) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3139928
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1cccc(/N=C2\SC(C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)c1
InChIInChI=1S/C19H18ClN3O3S/c1-23-17(24)11-16(18(25)21-13-6-3-5-12(20)9-13)27-19(23)22-14-7-4-8-15(10-14)26-2/h3-10,16H,11H2,1-2H3,(H,21,25)/b22-19-
InChIKeyHRXANZMMHZYOBH-QOCHGBHMSA-N
XLogP3.94
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.94
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-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3139928) is N-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is COc1cccc(/N=C2\SC(C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is HRXANZMMHZYOBH-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-23-17(24)11-16(18(25)21-13-6-3-5-12(20)9-13)27-19(23)22-14-7-4-8-15(10-14)26-2/h3-10,16H,11H2,1-2H3,(H,21,25)/b22-19-.
What are the key properties of N-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
N-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3139928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).