(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide

C17H18FNOS — CID 9142237

IUPAC(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H18FNOS/c1-12-7-9-15(10-8-12)21-13(2)17(20)19-11-14-5-3-4-6-16(14)18/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyXXEJWFJDOGPAKJ-CYBMUJFWSA-N
MW303.40 g/mol
LogP3.93
Rot. Bonds5

About (2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide

(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 9142237) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is (2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID9142237
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H18FNOS/c1-12-7-9-15(10-8-12)21-13(2)17(20)19-11-14-5-3-4-6-16(14)18/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyXXEJWFJDOGPAKJ-CYBMUJFWSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 978027
(2S)-2-(4-methylphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 92804145
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78760732
(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 39758716
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 6546874
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 49082852
(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 92801483
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (CID 9142237) is (2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(S[C@H](C)C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of (2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is XXEJWFJDOGPAKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-12-7-9-15(10-8-12)21-13(2)17(20)19-11-14-5-3-4-6-16(14)18/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 303.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 9142237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).