2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

C21H25NO2S — CID 90751935

IUPAC2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESCC([C@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(SC2CC2)cc1
InChIInChI=1S/C21H25NO2S/c1-15(21(24)17-6-4-3-5-7-17)22(2)20(23)14-16-8-10-18(11-9-16)25-19-12-13-19/h3-11,15,19,21,24H,12-14H2,1-2H3/t15?,21-/m0/s1
InChIKeyKJNNLBURVJXQJB-FXMQYSIJSA-N
MW355.50 g/mol
LogP4.06
Rot. Bonds7

About 2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (PubChem CID 90751935) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
PubChem CID90751935
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESCC([C@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(SC2CC2)cc1
InChIInChI=1S/C21H25NO2S/c1-15(21(24)17-6-4-3-5-7-17)22(2)20(23)14-16-8-10-18(11-9-16)25-19-12-13-19/h3-11,15,19,21,24H,12-14H2,1-2H3/t15?,21-/m0/s1
InChIKeyKJNNLBURVJXQJB-FXMQYSIJSA-N
XLogP4.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
N-[(1S,2S)-2-Hydroxy-1-methyl-2-phenylethyl]-N-methylbenzeneacetamide
CID 15337649
Sunagrel
CID 76956156
(2R,3S)-3-benzyl-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-(4-methylphenyl)sulfinylbutanamide
CID 134917517
N-(2-hydroxy-2-phenylpropyl)-2-(4-(isopropylthio)phenyl)acetamide
CID 56765368
N-((1S,2S)-1-Hydroxy-1-phenylpropan-2-yl)-N-methyl-3-phenylpropanamide
CID 11077352
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide
CID 11289079
2-(3-chloro-4-methylsulfanyl-phenyl)-N-(2(R)-hydroxy-1 (R)-methyl-2-phenyl-ethyl)-N-methylacetamide
CID 21356238
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-(4-(isopropylthio)phenyl)acetamide
CID 56765462
2-(4-fluorophenyl)-N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)acetamide
CID 71803787
(2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone
CID 75514533
N-[(R)-2-hydroxy-2-[p-(trifluoromethyl)phenyl]ethyl][p-(isopropylthio)phenyl]acetamide
CID 95368215

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The IUPAC name of 2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (CID 90751935) is 2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The canonical SMILES for 2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide is CC([C@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(SC2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The InChIKey is KJNNLBURVJXQJB-FXMQYSIJSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-15(21(24)17-6-4-3-5-7-17)22(2)20(23)14-16-8-10-18(11-9-16)25-19-12-13-19/h3-11,15,19,21,24H,12-14H2,1-2H3/t15?,21-/m0/s1.
What are the key properties of 2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide has a molecular weight of 355.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfanylphenyl)-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide is sourced from PubChem (CID 90751935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).