N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide

C16H15F3N2O3S — CID 56764241

IUPACN-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)15(24,11-5-2-1-3-6-11)10-21-14(23)13(22)20-9-12-7-4-8-25-12/h1-8,24H,9-10H2,(H,20,22)(H,21,23)
InChIKeyMLKNGGKUPDWZHS-UHFFFAOYSA-N
MW372.37 g/mol
LogP1.93
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide

N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide (PubChem CID 56764241) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
PubChem CID56764241
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)15(24,11-5-2-1-3-6-11)10-21-14(23)13(22)20-9-12-7-4-8-25-12/h1-8,24H,9-10H2,(H,20,22)(H,21,23)
InChIKeyMLKNGGKUPDWZHS-UHFFFAOYSA-N
XLogP1.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide (CID 56764241) is N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide is O=C(NCc1cccs1)C(=O)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The InChIKey is MLKNGGKUPDWZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c17-16(18,19)15(24,11-5-2-1-3-6-11)10-21-14(23)13(22)20-9-12-7-4-8-25-12/h1-8,24H,9-10H2,(H,20,22)(H,21,23).
What are the key properties of N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide has a molecular weight of 372.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide is sourced from PubChem (CID 56764241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).