3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

C17H16F3NO2S — CID 24584153

IUPAC3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESO=C(CCSc1ccccc1)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)23-14-8-6-13(7-9-14)12-21-16(22)10-11-24-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,21,22)
InChIKeyVDYPRFFCKRVBAI-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.38
Rot. Bonds7

About 3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 24584153) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID24584153
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESO=C(CCSc1ccccc1)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)23-14-8-6-13(7-9-14)12-21-16(22)10-11-24-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,21,22)
InChIKeyVDYPRFFCKRVBAI-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26207800
3-phenylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78786041
4-phenylsulfanyl-1-[4-(trifluoromethoxy)phenyl]butan-1-one
CID 132539511
N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide
CID 53279525
3-phenylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46766988
[2-(benzylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2353376
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157
4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 24584159
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 103606582
3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 30380045

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (CID 24584153) is 3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is O=C(CCSc1ccccc1)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is VDYPRFFCKRVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c18-17(19,20)23-14-8-6-13(7-9-14)12-21-16(22)10-11-24-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,21,22).
What are the key properties of 3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 355.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 24584153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).