2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide

C17H19NO3S — CID 96526173

IUPAC2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
SMILESC[S@@](=O)C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-22(21)12-16(14-7-3-2-4-8-14)18-17(20)11-13-6-5-9-15(19)10-13/h2-10,16,19H,11-12H2,1H3,(H,18,20)/t16-,22-/m1/s1
InChIKeyGAIHPYHTDSOGAK-OPAMFIHVSA-N
MW317.41 g/mol
LogP2.17
Rot. Bonds6

About 2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide

2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide (PubChem CID 96526173) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
PubChem CID96526173
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
SMILESC[S@@](=O)C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-22(21)12-16(14-7-3-2-4-8-14)18-17(20)11-13-6-5-9-15(19)10-13/h2-10,16,19H,11-12H2,1H3,(H,18,20)/t16-,22-/m1/s1
InChIKeyGAIHPYHTDSOGAK-OPAMFIHVSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyphenyl)-N-(2-methylsulfinyl-1-phenylethyl)acetamide
CID 71863857
2-(3-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103946363
2-(3-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103946380
2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99817638
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 110004453
N-(2-amino-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 63120581
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide
CID 119805754
(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
CID 80749726
N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 20978713
N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide
CID 146094351
3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
CID 112758397

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide (CID 96526173) is 2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide is C[S@@](=O)C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccccc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide?
The InChIKey is GAIHPYHTDSOGAK-OPAMFIHVSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-22(21)12-16(14-7-3-2-4-8-14)18-17(20)11-13-6-5-9-15(19)10-13/h2-10,16,19H,11-12H2,1H3,(H,18,20)/t16-,22-/m1/s1.
What are the key properties of 2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide?
2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide is sourced from PubChem (CID 96526173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).