2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C23H26Cl2N2O4S — CID 146667596

About 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146667596) has the molecular formula C23H26Cl2N2O4S and a molecular weight of 497.44 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 146667596
• Molecular Formula: C23H26Cl2N2O4S
• Molecular Weight: 497.44 g/mol
• Exact Mass: 496.10
• IUPAC Name: 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: CC1(C)CC(c2cc(Cl)cc(NC(=O)c3cc(N4CCCS4(=O)=O)ccc3Cl)c2)CCO1
• InChI: InChI=1S/C23H26Cl2N2O4S/c1-23(2)14-15(6-8-31-23)16-10-17(24)12-18(11-16)26-22(28)20-13-19(4-5-21(20)25)27-7-3-9-32(27,29)30/h4-5,10-13,15H,3,6-9,14H2,1-2H3,(H,26,28)
• InChIKey: CENDBUZJQHXYGQ-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.44
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The IUPAC name of 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146667596) is 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

What is the SMILES notation for 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The canonical SMILES for 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is CC1(C)CC(c2cc(Cl)cc(NC(=O)c3cc(N4CCCS4(=O)=O)ccc3Cl)c2)CCO1.

What is the InChIKey of 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The InChIKey is CENDBUZJQHXYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O4S/c1-23(2)14-15(6-8-31-23)16-10-17(24)12-18(11-16)26-22(28)20-13-19(4-5-21(20)25)27-7-3-9-32(27,29)30/h4-5,10-13,15H,3,6-9,14H2,1-2H3,(H,26,28).

What are the key properties of 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 497.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146667596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).