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

C25H21Cl2N3O3S — CID 5014127

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

N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 5014127) has the molecular formula C25H21Cl2N3O3S and a molecular weight of 514.43 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
• PubChem CID: 5014127
• Molecular Formula: C25H21Cl2N3O3S
• Molecular Weight: 514.43 g/mol
• Exact Mass: 513.07
• IUPAC Name: N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
• SMILES: COc1ccc(/N=C2\SC(C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccccc2Cl)cc1
• InChI: InChI=1S/C25H21Cl2N3O3S/c1-33-20-11-9-18(10-12-20)29-25-30(15-16-5-2-3-8-21(16)27)23(31)14-22(34-25)24(32)28-19-7-4-6-17(26)13-19/h2-13,22H,14-15H2,1H3,(H,28,32)/b29-25-
• InChIKey: QRXLBKRBKRNWDY-GNVQSUKOSA-N
• XLogP: 6.16
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.43
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?

The IUPAC name of N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide (CID 5014127) is N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.

What is the SMILES notation for N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?

The canonical SMILES for N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide is COc1ccc(/N=C2\SC(C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccccc2Cl)cc1.

What is the InChIKey of N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?

The InChIKey is QRXLBKRBKRNWDY-GNVQSUKOSA-N. The full InChI is InChI=1S/C25H21Cl2N3O3S/c1-33-20-11-9-18(10-12-20)29-25-30(15-16-5-2-3-8-21(16)27)23(31)14-22(34-25)24(32)28-19-7-4-6-17(26)13-19/h2-13,22H,14-15H2,1H3,(H,28,32)/b29-25-.

What are the key properties of N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?

N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 514.43 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 5014127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).