N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C19H22N2O6S — CID 97355105

About N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 97355105) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
• PubChem CID: 97355105
• Molecular Formula: C19H22N2O6S
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.12
• IUPAC Name: N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
• SMILES: COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cc1
• InChI: InChI=1S/C19H22N2O6S/c1-19(23,11-13-4-6-14(26-3)7-5-13)12-20-28(24,25)15-8-9-17-16(10-15)21(2)18(22)27-17/h4-10,20,23H,11-12H2,1-3H3/t19-/m1/s1
• InChIKey: SSXCSZBAFTYGQQ-LJQANCHMSA-N
• XLogP: 1.41
• TPSA: 110.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?

The IUPAC name of N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 97355105) is N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

What is the SMILES notation for N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?

The canonical SMILES for N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cc1.

What is the InChIKey of N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?

The InChIKey is SSXCSZBAFTYGQQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-19(23,11-13-4-6-14(26-3)7-5-13)12-20-28(24,25)15-8-9-17-16(10-15)21(2)18(22)27-17/h4-10,20,23H,11-12H2,1-3H3/t19-/m1/s1.

What are the key properties of N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?

N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 406.46 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 97355105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).