2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

C19H20N4O2S — CID 41323729

About 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 41323729) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
• PubChem CID: 41323729
• Molecular Formula: C19H20N4O2S
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.13
• IUPAC Name: 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
• SMILES: C[C@H](NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1)c1ccco1
• InChI: InChI=1S/C19H20N4O2S/c1-13(16-8-5-11-25-16)20-17(24)12-26-19-21-18(14-9-10-14)22-23(19)15-6-3-2-4-7-15/h2-8,11,13-14H,9-10,12H2,1H3,(H,20,24)/t13-/m0/s1
• InChIKey: UXGQOLKZBLTWAY-ZDUSSCGKSA-N
• XLogP: 3.71
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?

The IUPAC name of 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (CID 41323729) is 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?

The canonical SMILES for 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is C[C@H](NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1)c1ccco1.

What is the InChIKey of 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?

The InChIKey is UXGQOLKZBLTWAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13(16-8-5-11-25-16)20-17(24)12-26-19-21-18(14-9-10-14)22-23(19)15-6-3-2-4-7-15/h2-8,11,13-14H,9-10,12H2,1H3,(H,20,24)/t13-/m0/s1.

What are the key properties of 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?

2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 41323729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).