N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide

C21H27NO2S — CID 67189432

IUPACN-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)N(C)[C@H](C)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H27NO2S/c1-15(2)25-19-12-10-17(11-13-19)14-20(23)22(4)16(3)21(24)18-8-6-5-7-9-18/h5-13,15-16,21,24H,14H2,1-4H3/t16-,21+/m1/s1
InChIKeyGCXRCPLVLBWYMM-IERDGZPVSA-N
MW357.52 g/mol
LogP4.31
Rot. Bonds7

About N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 67189432) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID67189432
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC NameN-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)N(C)[C@H](C)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H27NO2S/c1-15(2)25-19-12-10-17(11-13-19)14-20(23)22(4)16(3)21(24)18-8-6-5-7-9-18/h5-13,15-16,21,24H,14H2,1-4H3/t16-,21+/m1/s1
InChIKeyGCXRCPLVLBWYMM-IERDGZPVSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 67189432) is N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)N(C)[C@H](C)[C@H](O)c2ccccc2)cc1.
What is the InChIKey of N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is GCXRCPLVLBWYMM-IERDGZPVSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-15(2)25-19-12-10-17(11-13-19)14-20(23)22(4)16(3)21(24)18-8-6-5-7-9-18/h5-13,15-16,21,24H,14H2,1-4H3/t16-,21+/m1/s1.
What are the key properties of N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 357.52 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 67189432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).