3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C27H28N4O2S — CID 55971795

About 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 55971795) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 55971795
• Molecular Formula: C27H28N4O2S
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.19
• IUPAC Name: 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
• SMILES: CSCCC(NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1
• InChI: InChI=1S/C27H28N4O2S/c1-18-6-4-8-21(16-18)26(32)30-23(13-15-34-3)27(33)28-22-11-9-20(10-12-22)24-17-31-14-5-7-19(2)25(31)29-24/h4-12,14,16-17,23H,13,15H2,1-3H3,(H,28,33)(H,30,32)
• InChIKey: NGGDRENMVOWSPB-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 75.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 55971795) is 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1.

What is the InChIKey of 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

The InChIKey is NGGDRENMVOWSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-18-6-4-8-21(16-18)26(32)30-23(13-15-34-3)27(33)28-22-11-9-20(10-12-22)24-17-31-14-5-7-19(2)25(31)29-24/h4-12,14,16-17,23H,13,15H2,1-3H3,(H,28,33)(H,30,32).

What are the key properties of 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 472.61 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55971795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).