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

C18H15F3N2O2S — CID 118526721

IUPACN-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
SMILESO=C1CC(Sc2ccccc2C(F)(F)F)N1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15F3N2O2S/c19-18(20,21)13-8-4-5-9-14(13)26-16-10-15(24)23(16)17(25)22-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,22,25)
InChIKeyASEVRAGBGQBKND-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.27
Rot. Bonds4

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

N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide (PubChem CID 118526721) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
PubChem CID118526721
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC NameN-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
SMILESO=C1CC(Sc2ccccc2C(F)(F)F)N1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15F3N2O2S/c19-18(20,21)13-8-4-5-9-14(13)26-16-10-15(24)23(16)17(25)22-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,22,25)
InChIKeyASEVRAGBGQBKND-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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide?
The IUPAC name of N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide (CID 118526721) is N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide?
The canonical SMILES for N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide is O=C1CC(Sc2ccccc2C(F)(F)F)N1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide?
The InChIKey is ASEVRAGBGQBKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c19-18(20,21)13-8-4-5-9-14(13)26-16-10-15(24)23(16)17(25)22-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,22,25).
What are the key properties of N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide?
N-benzyl-2-oxo-4-[2-(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-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide is sourced from PubChem (CID 118526721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).