2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C19H17Cl2N3O3S — CID 146667641

About 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146667641) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 146667641
• Molecular Formula: C19H17Cl2N3O3S
• Molecular Weight: 438.34 g/mol
• Exact Mass: 437.04
• IUPAC Name: 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: CCc1cc(C#N)cc(NC(=O)c2cc(N3CCCS3(=O)=O)cc(Cl)c2Cl)c1
• InChI: InChI=1S/C19H17Cl2N3O3S/c1-2-12-6-13(11-22)8-14(7-12)23-19(25)16-9-15(10-17(20)18(16)21)24-4-3-5-28(24,26)27/h6-10H,2-5H2,1H3,(H,23,25)
• InChIKey: IELGNQYXOWLPFR-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 90.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.34
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The IUPAC name of 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146667641) is 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

What is the SMILES notation for 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The canonical SMILES for 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is CCc1cc(C#N)cc(NC(=O)c2cc(N3CCCS3(=O)=O)cc(Cl)c2Cl)c1.

What is the InChIKey of 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The InChIKey is IELGNQYXOWLPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S/c1-2-12-6-13(11-22)8-14(7-12)23-19(25)16-9-15(10-17(20)18(16)21)24-4-3-5-28(24,26)27/h6-10H,2-5H2,1H3,(H,23,25).

What are the key properties of 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 438.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146667641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).