2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

C17H16F3NO2S — CID 46772610

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2S/c1-11(24-13-9-7-12(23-2)8-10-13)16(22)21-15-6-4-3-5-14(15)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyHCJQCJFEWVSLJY-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.83
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 46772610) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID46772610
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2S/c1-11(24-13-9-7-12(23-2)8-10-13)16(22)21-15-6-4-3-5-14(15)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyHCJQCJFEWVSLJY-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 55870545
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837
N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 55873514
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907596
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16514508
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2976562
2-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 94018594
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8985827
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 46772610) is 2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is COc1ccc(SC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HCJQCJFEWVSLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c1-11(24-13-9-7-12(23-2)8-10-13)16(22)21-15-6-4-3-5-14(15)17(18,19)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 355.38 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 46772610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).