(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide

C17H19NO2S — CID 6543556

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-13(21-16-6-4-3-5-7-16)17(19)18-12-14-8-10-15(20-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyHRLCCHQFMGDTOF-ZDUSSCGKSA-N
MW301.41 g/mol
LogP3.49
Rot. Bonds6

About (2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide

(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide (PubChem CID 6543556) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
PubChem CID6543556
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-13(21-16-6-4-3-5-7-16)17(19)18-12-14-8-10-15(20-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyHRLCCHQFMGDTOF-ZDUSSCGKSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
1-[(4-methoxyphenyl)methyl]-3-[[(2R)-2-phenylsulfanylpropanoyl]amino]thiourea
CID 9478897
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
CID 92675964
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 7847827
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837093
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 2085992
(2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide
CID 7468528

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide (CID 6543556) is (2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide is COc1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide?
The InChIKey is HRLCCHQFMGDTOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13(21-16-6-4-3-5-7-16)17(19)18-12-14-8-10-15(20-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide?
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 6543556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).