(2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide

C21H27NO2S — CID 7468528

IUPAC(2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)Sc2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C21H27NO2S/c1-13-11-14(2)16(4)20(15(13)3)25-17(5)21(23)22-12-18-7-9-19(24-6)10-8-18/h7-11,17H,12H2,1-6H3,(H,22,23)/t17-/m1/s1
InChIKeyGMFYPUKZBFKINK-QGZVFWFLSA-N
MW357.52 g/mol
LogP4.73
Rot. Bonds6

About (2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide

(2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide (PubChem CID 7468528) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide
PubChem CID7468528
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name(2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)Sc2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C21H27NO2S/c1-13-11-14(2)16(4)20(15(13)3)25-17(5)21(23)22-12-18-7-9-19(24-6)10-8-18/h7-11,17H,12H2,1-6H3,(H,22,23)/t17-/m1/s1
InChIKeyGMFYPUKZBFKINK-QGZVFWFLSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 2085992
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 7847827
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
CID 92675964
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
ethyl 2-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanylacetate
CID 8604589
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2R)-N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2080305

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide (CID 7468528) is (2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide is COc1ccc(CNC(=O)[C@@H](C)Sc2c(C)c(C)cc(C)c2C)cc1.
What is the InChIKey of (2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide?
The InChIKey is GMFYPUKZBFKINK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-13-11-14(2)16(4)20(15(13)3)25-17(5)21(23)22-12-18-7-9-19(24-6)10-8-18/h7-11,17H,12H2,1-6H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide?
(2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide has a molecular weight of 357.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 7468528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).