3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide

C22H28N4O4S — CID 126512348

About 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide

3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 126512348) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
• PubChem CID: 126512348
• Molecular Formula: C22H28N4O4S
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.18
• IUPAC Name: 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
• SMILES: COCC(NS(=O)(=O)c1ccc(C)c(-c2cnc(N)c(-c3cc(C)no3)c2)c1)C(C)C
• InChI: InChI=1S/C22H28N4O4S/c1-13(2)20(12-29-5)26-31(27,28)17-7-6-14(3)18(10-17)16-9-19(22(23)24-11-16)21-8-15(4)25-30-21/h6-11,13,20,26H,12H2,1-5H3,(H2,23,24)
• InChIKey: OLGSBNCYXOWJTG-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 120.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide?

The IUPAC name of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide (CID 126512348) is 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide.

What is the SMILES notation for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide?

The canonical SMILES for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide is COCC(NS(=O)(=O)c1ccc(C)c(-c2cnc(N)c(-c3cc(C)no3)c2)c1)C(C)C.

What is the InChIKey of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide?

The InChIKey is OLGSBNCYXOWJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-13(2)20(12-29-5)26-31(27,28)17-7-6-14(3)18(10-17)16-9-19(22(23)24-11-16)21-8-15(4)25-30-21/h6-11,13,20,26H,12H2,1-5H3,(H2,23,24).

What are the key properties of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide?

3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 444.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 126512348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).