N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide

C20H25NO2S — CID 11602612

IUPACN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide
SMILESCOC[C@H](Cc1ccccc1)NC(=O)C(C)(C)Sc1ccccc1
InChIInChI=1S/C20H25NO2S/c1-20(2,24-18-12-8-5-9-13-18)19(22)21-17(15-23-3)14-16-10-6-4-7-11-16/h4-13,17H,14-15H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyAQZMLZZJWJTJLA-KRWDZBQOSA-N
MW343.49 g/mol
LogP3.93
Rot. Bonds8

About N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide (PubChem CID 11602612) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide
PubChem CID11602612
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide
SMILESCOC[C@H](Cc1ccccc1)NC(=O)C(C)(C)Sc1ccccc1
InChIInChI=1S/C20H25NO2S/c1-20(2,24-18-12-8-5-9-13-18)19(22)21-17(15-23-3)14-16-10-6-4-7-11-16/h4-13,17H,14-15H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyAQZMLZZJWJTJLA-KRWDZBQOSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155842
(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid
CID 122037947
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
methyl N-[(2S)-4-oxo-1-phenylpentan-2-yl]carbamate
CID 66831258
N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 71195446
[(2R)-2-acetamido-3-phenylpropyl] carbamate
CID 138394001
2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 15660575
2-bromo-2,2-difluoro-N-(1-phenyl-3-phenylsulfanylpropan-2-yl)acetamide
CID 78152888
1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004823
N-[(2S,5S)-5-(dibenzylamino)-4-oxo-1,6-diphenylhexan-2-yl]-2,2-dimethylpropanamide
CID 57274655

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide?
The IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide (CID 11602612) is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide is COC[C@H](Cc1ccccc1)NC(=O)C(C)(C)Sc1ccccc1.
What is the InChIKey of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide?
The InChIKey is AQZMLZZJWJTJLA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-20(2,24-18-12-8-5-9-13-18)19(22)21-17(15-23-3)14-16-10-6-4-7-11-16/h4-13,17H,14-15H2,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide?
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide has a molecular weight of 343.49 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 11602612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).