(2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide

C19H23NO2S — CID 93488322

IUPAC(2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-14(17-9-11-18(22-3)12-10-17)20-19(21)15(2)23-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t14-,15+/m1/s1
InChIKeyXJZUDDPLFHGFTC-CABCVRRESA-N
MW329.47 g/mol
LogP4.19
Rot. Bonds7

About (2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide

(2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 93488322) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID93488322
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-14(17-9-11-18(22-3)12-10-17)20-19(21)15(2)23-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t14-,15+/m1/s1
InChIKeyXJZUDDPLFHGFTC-CABCVRRESA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94015865
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
(2S)-2-benzylsulfanyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 51958369
(2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 38003625
3-(2-benzylsulfanylpropanoylamino)butanoic acid
CID 119221152
2-benzylsulfanyl-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133200276
(2S)-2-benzylsulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 94020092
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
N-[1-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 46763830
4-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498878
methyl N-[2-[(4-methoxyphenyl)methylsulfanyl]propanoyl]-N'-phenylcarbamimidothioate
CID 135550824
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide (CID 93488322) is (2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is XJZUDDPLFHGFTC-CABCVRRESA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14(17-9-11-18(22-3)12-10-17)20-19(21)15(2)23-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
(2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylsulfanyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 93488322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).