(2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide

C19H20FNOS — CID 52510285

IUPAC(2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide
SMILESCc1ccc(NC(=O)[C@H](C)SC/C=C/c2ccccc2)cc1F
InChIInChI=1S/C19H20FNOS/c1-14-10-11-17(13-18(14)20)21-19(22)15(2)23-12-6-9-16-7-4-3-5-8-16/h3-11,13,15H,12H2,1-2H3,(H,21,22)/b9-6+/t15-/m0/s1
InChIKeyXYCCCVGJGWRBNA-PPYMECGQSA-N
MW329.44 g/mol
LogP4.91
Rot. Bonds6

About (2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide

(2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide (PubChem CID 52510285) has the molecular formula C19H20FNOS and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide
PubChem CID52510285
Molecular FormulaC19H20FNOS
Molecular Weight329.44 g/mol
Exact Mass329.12
IUPAC Name(2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide
SMILESCc1ccc(NC(=O)[C@H](C)SC/C=C/c2ccccc2)cc1F
InChIInChI=1S/C19H20FNOS/c1-14-10-11-17(13-18(14)20)21-19(22)15(2)23-12-6-9-16-7-4-3-5-8-16/h3-11,13,15H,12H2,1-2H3,(H,21,22)/b9-6+/t15-/m0/s1
InChIKeyXYCCCVGJGWRBNA-PPYMECGQSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide
CID 46512645
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006
(2R)-2-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide
CID 2271946
N-(3-fluoro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021266
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 46620983
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 66136925
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680
(2S)-N-(3-fluoro-4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8888600
2-(2-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511443

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide (CID 52510285) is (2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide is Cc1ccc(NC(=O)[C@H](C)SC/C=C/c2ccccc2)cc1F.
What is the InChIKey of (2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide?
The InChIKey is XYCCCVGJGWRBNA-PPYMECGQSA-N. The full InChI is InChI=1S/C19H20FNOS/c1-14-10-11-17(13-18(14)20)21-19(22)15(2)23-12-6-9-16-7-4-3-5-8-16/h3-11,13,15H,12H2,1-2H3,(H,21,22)/b9-6+/t15-/m0/s1.
What are the key properties of (2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide?
(2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide has a molecular weight of 329.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluoro-4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide is sourced from PubChem (CID 52510285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).