N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide

C14H16F3NO2S — CID 35240794

IUPACN-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H16F3NO2S/c1-9(12-3-2-8-20-12)18-13(19)10-4-6-11(7-5-10)21-14(15,16)17/h4-7,9,12H,2-3,8H2,1H3,(H,18,19)/t9-,12+/m1/s1
InChIKeyRZLMOYZUVCDKLG-SKDRFNHKSA-N
MW319.35 g/mol
LogP3.60
Rot. Bonds4

About N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide

N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 35240794) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID35240794
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC NameN-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H16F3NO2S/c1-9(12-3-2-8-20-12)18-13(19)10-4-6-11(7-5-10)21-14(15,16)17/h4-7,9,12H,2-3,8H2,1H3,(H,18,19)/t9-,12+/m1/s1
InChIKeyRZLMOYZUVCDKLG-SKDRFNHKSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 63971995
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 104627700
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 6466404
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 46573470

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide (CID 35240794) is N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide is C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)[C@@H]1CCCO1.
What is the InChIKey of N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is RZLMOYZUVCDKLG-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c1-9(12-3-2-8-20-12)18-13(19)10-4-6-11(7-5-10)21-14(15,16)17/h4-7,9,12H,2-3,8H2,1H3,(H,18,19)/t9-,12+/m1/s1.
What are the key properties of N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide?
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 319.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 35240794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).