N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C22H25N5O4S2 — CID 42975600

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 42975600) has the molecular formula C22H25N5O4S2 and a molecular weight of 487.61 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
• PubChem CID: 42975600
• Molecular Formula: C22H25N5O4S2
• Molecular Weight: 487.61 g/mol
• Exact Mass: 487.13
• IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
• SMILES: Cc1ccc(NC(=O)C(C)Sc2nncn2-c2ccccc2)cc1S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C22H25N5O4S2/c1-16-8-9-18(14-20(16)33(29,30)26-10-12-31-13-11-26)24-21(28)17(2)32-22-25-23-15-27(22)19-6-4-3-5-7-19/h3-9,14-15,17H,10-13H2,1-2H3,(H,24,28)
• InChIKey: FJTSWIJDZXSUJX-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.61
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 42975600) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is Cc1ccc(NC(=O)C(C)Sc2nncn2-c2ccccc2)cc1S(=O)(=O)N1CCOCC1.

What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The InChIKey is FJTSWIJDZXSUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S2/c1-16-8-9-18(14-20(16)33(29,30)26-10-12-31-13-11-26)24-21(28)17(2)32-22-25-23-15-27(22)19-6-4-3-5-7-19/h3-9,14-15,17H,10-13H2,1-2H3,(H,24,28).

What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 487.61 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 42975600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).