2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C19H19ClN2O5S — CID 20996989

About 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20996989) has the molecular formula C19H19ClN2O5S and a molecular weight of 422.89 g/mol. Its IUPAC name is 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 20996989
• Molecular Formula: C19H19ClN2O5S
• Molecular Weight: 422.89 g/mol
• Exact Mass: 422.07
• IUPAC Name: 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: CC(C)Oc1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl
• InChI: InChI=1S/C19H19ClN2O5S/c1-12(2)27-17-6-4-3-5-16(17)21-19(24)14-8-7-13(11-15(14)20)22-18(23)9-10-28(22,25)26/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
• InChIKey: DDZVSRZNAYYVSF-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 92.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.89
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

The IUPAC name of 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20996989) is 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

What is the SMILES notation for 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

The canonical SMILES for 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC(C)Oc1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl.

What is the InChIKey of 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

The InChIKey is DDZVSRZNAYYVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5S/c1-12(2)27-17-6-4-3-5-16(17)21-19(24)14-8-7-13(11-15(14)20)22-18(23)9-10-28(22,25)26/h3-8,11-12H,9-10H2,1-2H3,(H,21,24).

What are the key properties of 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 422.89 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20996989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).