N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide

C15H20N4O3S2 — CID 8582305

About N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 8582305) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
• PubChem CID: 8582305
• Molecular Formula: C15H20N4O3S2
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.10
• IUPAC Name: N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
• SMILES: CN(CC(=O)NC(C)(C)C)C(=O)CSc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C15H20N4O3S2/c1-15(2,3)16-11(20)8-19(4)12(21)9-24-14-18-17-13(22-14)10-6-5-7-23-10/h5-7H,8-9H2,1-4H3,(H,16,20)
• InChIKey: NDGRHIPTAYMGTN-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide?

The IUPAC name of N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide (CID 8582305) is N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide.

What is the SMILES notation for N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide?

The canonical SMILES for N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)CSc1nnc(-c2cccs2)o1.

What is the InChIKey of N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide?

The InChIKey is NDGRHIPTAYMGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-15(2,3)16-11(20)8-19(4)12(21)9-24-14-18-17-13(22-14)10-6-5-7-23-10/h5-7H,8-9H2,1-4H3,(H,16,20).

What are the key properties of N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide?

N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 8582305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).