N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C24H33N5O2S — CID 43032858

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 43032858) has the molecular formula C24H33N5O2S and a molecular weight of 455.63 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• PubChem CID: 43032858
• Molecular Formula: C24H33N5O2S
• Molecular Weight: 455.63 g/mol
• Exact Mass: 455.24
• IUPAC Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• SMILES: C=CCn1c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nnc1-c1ccccc1
• InChI: InChI=1S/C24H33N5O2S/c1-2-13-29-22(20-9-5-3-6-10-20)26-27-23(29)32-18-21(30)25-19-24(11-7-4-8-12-24)28-14-16-31-17-15-28/h2-3,5-6,9-10H,1,4,7-8,11-19H2,(H,25,30)
• InChIKey: FTIZXTSHYAPJEY-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.63
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 43032858) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is C=CCn1c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nnc1-c1ccccc1.

What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The InChIKey is FTIZXTSHYAPJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2S/c1-2-13-29-22(20-9-5-3-6-10-20)26-27-23(29)32-18-21(30)25-19-24(11-7-4-8-12-24)28-14-16-31-17-15-28/h2-3,5-6,9-10H,1,4,7-8,11-19H2,(H,25,30).

What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 455.63 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 43032858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).