2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C14H18ClN3O4S — CID 21007121

About 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007121) has the molecular formula C14H18ClN3O4S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 21007121
• Molecular Formula: C14H18ClN3O4S
• Molecular Weight: 359.84 g/mol
• Exact Mass: 359.07
• IUPAC Name: 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: CN(C)CCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl
• InChI: InChI=1S/C14H18ClN3O4S/c1-17(2)7-6-16-14(20)11-4-3-10(9-12(11)15)18-13(19)5-8-23(18,21)22/h3-4,9H,5-8H2,1-2H3,(H,16,20)
• InChIKey: ULIOHJOBOOBAKC-UHFFFAOYSA-N
• XLogP: 0.70
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.84
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

The IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007121) is 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

The canonical SMILES for 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CN(C)CCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl.

What is the InChIKey of 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

The InChIKey is ULIOHJOBOOBAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4S/c1-17(2)7-6-16-14(20)11-4-3-10(9-12(11)15)18-13(19)5-8-23(18,21)22/h3-4,9H,5-8H2,1-2H3,(H,16,20).

What are the key properties of 2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 359.84 g/mol, XLogP of 0.70, 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-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).