N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C15H20FNO2S — CID 94348968

IUPACN-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCSCC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1
InChIInChI=1S/C15H20FNO2S/c1-20-11-15(18)17(10-14-6-3-7-19-14)9-12-4-2-5-13(16)8-12/h2,4-5,8,14H,3,6-7,9-11H2,1H3/t14-/m0/s1
InChIKeyIKYGGWBUAOUGAL-AWEZNQCLSA-N
MW297.39 g/mol
LogP2.70
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 94348968) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID94348968
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCSCC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1
InChIInChI=1S/C15H20FNO2S/c1-20-11-15(18)17(10-14-6-3-7-19-14)9-12-4-2-5-13(16)8-12/h2,4-5,8,14H,3,6-7,9-11H2,1H3/t14-/m0/s1
InChIKeyIKYGGWBUAOUGAL-AWEZNQCLSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47087966
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
CID 94348949
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide
CID 60622855
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119759146
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45199675

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 94348968) is N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CSCC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is IKYGGWBUAOUGAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20FNO2S/c1-20-11-15(18)17(10-14-6-3-7-19-14)9-12-4-2-5-13(16)8-12/h2,4-5,8,14H,3,6-7,9-11H2,1H3/t14-/m0/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 297.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 94348968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).