2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide

C20H20N2O4S — CID 41199431

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide (PubChem CID 41199431) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide
• PubChem CID: 41199431
• Molecular Formula: C20H20N2O4S
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.11
• IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide
• SMILES: CCOc1cc2c(cc1NC(=O)CSc1nc3ccccc3o1)O[C@@H](C)C2
• InChI: InChI=1S/C20H20N2O4S/c1-3-24-18-9-13-8-12(2)25-17(13)10-15(18)21-19(23)11-27-20-22-14-6-4-5-7-16(14)26-20/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,21,23)/t12-/m0/s1
• InChIKey: RULGCFSLWVXAKT-LBPRGKRZSA-N
• XLogP: 4.28
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide?

The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide (CID 41199431) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide.

What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide?

The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide is CCOc1cc2c(cc1NC(=O)CSc1nc3ccccc3o1)O[C@@H](C)C2.

What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide?

The InChIKey is RULGCFSLWVXAKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-3-24-18-9-13-8-12(2)25-17(13)10-15(18)21-19(23)11-27-20-22-14-6-4-5-7-16(14)26-20/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,21,23)/t12-/m0/s1.

What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide?

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide is sourced from PubChem (CID 41199431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).