N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C18H16N2O5S3 — CID 124878466

About N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 124878466) has the molecular formula C18H16N2O5S3 and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
• PubChem CID: 124878466
• Molecular Formula: C18H16N2O5S3
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.02
• IUPAC Name: N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
• SMILES: Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](O)(c3ccsc3)c3cccs3)cc21
• InChI: InChI=1S/C18H16N2O5S3/c1-20-14-9-13(4-5-15(14)25-17(20)21)28(23,24)19-11-18(22,12-6-8-26-10-12)16-3-2-7-27-16/h2-10,19,22H,11H2,1H3/t18-/m1/s1
• InChIKey: YSGCFYZDMAASLJ-GOSISDBHSA-N
• XLogP: 2.47
• TPSA: 101.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 124878466) is N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

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

The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](O)(c3ccsc3)c3cccs3)cc21.

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

The InChIKey is YSGCFYZDMAASLJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N2O5S3/c1-20-14-9-13(4-5-15(14)25-17(20)21)28(23,24)19-11-18(22,12-6-8-26-10-12)16-3-2-7-27-16/h2-10,19,22H,11H2,1H3/t18-/m1/s1.

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

N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 436.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 124878466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).