N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide

C19H18ClN3O3S — CID 135401766

IUPACN-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(C/N=C2/NC(=O)CC(C(=O)Nc3ccc(Cl)cc3)S2)cc1
InChIInChI=1S/C19H18ClN3O3S/c1-26-15-8-2-12(3-9-15)11-21-19-23-17(24)10-16(27-19)18(25)22-14-6-4-13(20)5-7-14/h2-9,16H,10-11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyICAOBWDPBSBNNJ-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.46
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide

N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135401766) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135401766
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(C/N=C2/NC(=O)CC(C(=O)Nc3ccc(Cl)cc3)S2)cc1
InChIInChI=1S/C19H18ClN3O3S/c1-26-15-8-2-12(3-9-15)11-21-19-23-17(24)10-16(27-19)18(25)22-14-6-4-13(20)5-7-14/h2-9,16H,10-11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyICAOBWDPBSBNNJ-UHFFFAOYSA-N
XLogP3.46
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.46
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 N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide (CID 135401766) is N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide is COc1ccc(C/N=C2/NC(=O)CC(C(=O)Nc3ccc(Cl)cc3)S2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is ICAOBWDPBSBNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-26-15-8-2-12(3-9-15)11-21-19-23-17(24)10-16(27-19)18(25)22-14-6-4-13(20)5-7-14/h2-9,16H,10-11H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide?
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylimino]-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135401766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).