N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C15H16N2O5S2 — CID 97355211

About N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 97355211) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
• PubChem CID: 97355211
• Molecular Formula: C15H16N2O5S2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.05
• IUPAC Name: N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
• SMILES: Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](C)(O)c3cccs3)cc21
• InChI: InChI=1S/C15H16N2O5S2/c1-15(19,13-4-3-7-23-13)9-16-24(20,21)10-5-6-12-11(8-10)17(2)14(18)22-12/h3-8,16,19H,9H2,1-2H3/t15-/m1/s1
• InChIKey: GLGZUKGUZGNKHW-OAHLLOKOSA-N
• XLogP: 1.38
• TPSA: 101.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 97355211) is N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

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

The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](C)(O)c3cccs3)cc21.

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

The InChIKey is GLGZUKGUZGNKHW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-15(19,13-4-3-7-23-13)9-16-24(20,21)10-5-6-12-11(8-10)17(2)14(18)22-12/h3-8,16,19H,9H2,1-2H3/t15-/m1/s1.

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

N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 368.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 97355211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).