3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H26N4O4S2 — CID 24612729

About 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24612729) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24612729
• Molecular Formula: C24H26N4O4S2
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.14
• IUPAC Name: 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)c3c(C)noc3n2)s1
• InChI: InChI=1S/C24H26N4O4S2/c1-14(2)28-34(30,31)13-18-8-6-17(7-9-18)12-25-23(29)19-11-20(21-10-5-15(3)33-21)26-24-22(19)16(4)27-32-24/h5-11,14,28H,12-13H2,1-4H3,(H,25,29)
• InChIKey: VCRABAVGFFXKOQ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 114.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24612729) is 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)c3c(C)noc3n2)s1.

What is the InChIKey of 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is VCRABAVGFFXKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-14(2)28-34(30,31)13-18-8-6-17(7-9-18)12-25-23(29)19-11-20(21-10-5-15(3)33-21)26-24-22(19)16(4)27-32-24/h5-11,14,28H,12-13H2,1-4H3,(H,25,29).

What are the key properties of 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24612729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).