2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide

C23H20N4O3S — CID 56537715

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide (PubChem CID 56537715) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
• PubChem CID: 56537715
• Molecular Formula: C23H20N4O3S
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.13
• IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
• SMILES: NC(=O)CSc1ccccc1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1
• InChI: InChI=1S/C23H20N4O3S/c24-21(28)15-31-20-9-2-1-8-19(20)23(29)26-16-6-5-7-18(12-16)30-14-17-13-27-11-4-3-10-22(27)25-17/h1-13H,14-15H2,(H2,24,28)(H,26,29)
• InChIKey: VAQKKPZAVLZSGN-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 98.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide?

The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide (CID 56537715) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide.

What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide?

The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide is NC(=O)CSc1ccccc1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1.

What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide?

The InChIKey is VAQKKPZAVLZSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c24-21(28)15-31-20-9-2-1-8-19(20)23(29)26-16-6-5-7-18(12-16)30-14-17-13-27-11-4-3-10-22(27)25-17/h1-13H,14-15H2,(H2,24,28)(H,26,29).

What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide?

2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide has a molecular weight of 432.51 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 56537715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).