N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide

C18H15F3N2O2S — CID 118526615

IUPACN-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
SMILESO=C1CC(Sc2cccc(C(F)(F)F)c2)N1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15F3N2O2S/c19-18(20,21)13-7-4-8-14(9-13)26-16-10-15(24)23(16)17(25)22-11-12-5-2-1-3-6-12/h1-9,16H,10-11H2,(H,22,25)
InChIKeyNMDMLRQONMMTQF-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.27
Rot. Bonds4

About N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide

N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide (PubChem CID 118526615) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
PubChem CID118526615
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC NameN-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
SMILESO=C1CC(Sc2cccc(C(F)(F)F)c2)N1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15F3N2O2S/c19-18(20,21)13-7-4-8-14(9-13)26-16-10-15(24)23(16)17(25)22-11-12-5-2-1-3-6-12/h1-9,16H,10-11H2,(H,22,25)
InChIKeyNMDMLRQONMMTQF-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide?
The IUPAC name of N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide (CID 118526615) is N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide?
The canonical SMILES for N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide is O=C1CC(Sc2cccc(C(F)(F)F)c2)N1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide?
The InChIKey is NMDMLRQONMMTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c19-18(20,21)13-7-4-8-14(9-13)26-16-10-15(24)23(16)17(25)22-11-12-5-2-1-3-6-12/h1-9,16H,10-11H2,(H,22,25).
What are the key properties of N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide?
N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide is sourced from PubChem (CID 118526615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).