(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide

C19H23NO2S — CID 51546952

IUPAC(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-14(16-7-5-4-6-8-16)13-20-19(21)15(2)23-18-11-9-17(22-3)10-12-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t14-,15+/m1/s1
InChIKeyNPZMWPXCUQNCKY-CABCVRRESA-N
MW329.47 g/mol
LogP4.10
Rot. Bonds7

About (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide

(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 51546952) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID51546952
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-14(16-7-5-4-6-8-16)13-20-19(21)15(2)23-18-11-9-17(22-3)10-12-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t14-,15+/m1/s1
InChIKeyNPZMWPXCUQNCKY-CABCVRRESA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119527437
(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 39758716
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
2-benzyl-3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119233672
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
CID 42985395
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
CID 60518630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide (CID 51546952) is (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide is COc1ccc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is NPZMWPXCUQNCKY-CABCVRRESA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14(16-7-5-4-6-8-16)13-20-19(21)15(2)23-18-11-9-17(22-3)10-12-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide?
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 51546952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).