2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide

C21H23ClN4O3S — CID 55719696

About 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide

2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide (PubChem CID 55719696) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide
• PubChem CID: 55719696
• Molecular Formula: C21H23ClN4O3S
• Molecular Weight: 446.96 g/mol
• Exact Mass: 446.12
• IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide
• SMILES: CSCCC(NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(N2CCNC2=O)c1
• InChI: InChI=1S/C21H23ClN4O3S/c1-30-12-9-18(25-19(27)16-7-2-3-8-17(16)22)20(28)24-14-5-4-6-15(13-14)26-11-10-23-21(26)29/h2-8,13,18H,9-12H2,1H3,(H,23,29)(H,24,28)(H,25,27)
• InChIKey: TZIBOZFIZSCFSZ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.96
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide?

The IUPAC name of 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide (CID 55719696) is 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide?

The canonical SMILES for 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide is CSCCC(NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(N2CCNC2=O)c1.

What is the InChIKey of 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide?

The InChIKey is TZIBOZFIZSCFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-30-12-9-18(25-19(27)16-7-2-3-8-17(16)22)20(28)24-14-5-4-6-15(13-14)26-11-10-23-21(26)29/h2-8,13,18H,9-12H2,1H3,(H,23,29)(H,24,28)(H,25,27).

What are the key properties of 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide?

2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide has a molecular weight of 446.96 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[3-(2-oxoimidazolidin-1-yl)anilino]butan-2-yl]benzamide is sourced from PubChem (CID 55719696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).