N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide

C23H23F3N4O4S — CID 129307922

About N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide

N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide (PubChem CID 129307922) has the molecular formula C23H23F3N4O4S and a molecular weight of 508.52 g/mol. Its IUPAC name is N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 129307922
• Molecular Formula: C23H23F3N4O4S
• Molecular Weight: 508.52 g/mol
• Exact Mass: 508.14
• IUPAC Name: N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
• SMILES: CC(C)(C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)s1)c1ccccc1
• InChI: InChI=1S/C23H23F3N4O4S/c1-22(2,14-6-4-3-5-7-14)21(32)30-10-11-33-13-15(30)12-27-19(31)17-9-8-16(35-17)18-28-20(34-29-18)23(24,25)26/h3-9,15H,10-13H2,1-2H3,(H,27,31)/t15-/m0/s1
• InChIKey: LGSGCBZQKYNDCF-HNNXBMFYSA-N
• XLogP: 3.75
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.52
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?

The IUPAC name of N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide (CID 129307922) is N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide is CC(C)(C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)s1)c1ccccc1.

What is the InChIKey of N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?

The InChIKey is LGSGCBZQKYNDCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23F3N4O4S/c1-22(2,14-6-4-3-5-7-14)21(32)30-10-11-33-13-15(30)12-27-19(31)17-9-8-16(35-17)18-28-20(34-29-18)23(24,25)26/h3-9,15H,10-13H2,1-2H3,(H,27,31)/t15-/m0/s1.

What are the key properties of N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?

N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide has a molecular weight of 508.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S)-4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 129307922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).