N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide

C19H21Cl2N3O3S — CID 20953900

About N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (PubChem CID 20953900) has the molecular formula C19H21Cl2N3O3S and a molecular weight of 442.37 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
• PubChem CID: 20953900
• Molecular Formula: C19H21Cl2N3O3S
• Molecular Weight: 442.37 g/mol
• Exact Mass: 441.07
• IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
• SMILES: O=C(CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O)NCc1ccccc1Cl
• InChI: InChI=1S/C19H21Cl2N3O3S/c20-17-7-3-5-15(11-17)13-23-9-4-10-24(28(23,26)27)14-19(25)22-12-16-6-1-2-8-18(16)21/h1-3,5-8,11H,4,9-10,12-14H2,(H,22,25)
• InChIKey: XDEUJMOZXXBEPT-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.37
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (CID 20953900) is N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is O=C(CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O)NCc1ccccc1Cl.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The InChIKey is XDEUJMOZXXBEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3S/c20-17-7-3-5-15(11-17)13-23-9-4-10-24(28(23,26)27)14-19(25)22-12-16-6-1-2-8-18(16)21/h1-3,5-8,11H,4,9-10,12-14H2,(H,22,25).

What are the key properties of N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide has a molecular weight of 442.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is sourced from PubChem (CID 20953900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).