N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C18H15N3O3S2 — CID 8582334

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 8582334) has the molecular formula C18H15N3O3S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 8582334
• Molecular Formula: C18H15N3O3S2
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.06
• IUPAC Name: N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: C[C@H](NC(=O)CSc1nnc(-c2cccs2)o1)c1cc2ccccc2o1
• InChI: InChI=1S/C18H15N3O3S2/c1-11(14-9-12-5-2-3-6-13(12)23-14)19-16(22)10-26-18-21-20-17(24-18)15-7-4-8-25-15/h2-9,11H,10H2,1H3,(H,19,22)/t11-/m0/s1
• InChIKey: NPENFMHBQHUYHM-NSHDSACASA-N
• XLogP: 4.51
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 8582334) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is C[C@H](NC(=O)CSc1nnc(-c2cccs2)o1)c1cc2ccccc2o1.

What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is NPENFMHBQHUYHM-NSHDSACASA-N. The full InChI is InChI=1S/C18H15N3O3S2/c1-11(14-9-12-5-2-3-6-13(12)23-14)19-16(22)10-26-18-21-20-17(24-18)15-7-4-8-25-15/h2-9,11H,10H2,1H3,(H,19,22)/t11-/m0/s1.

What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 8582334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).