2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide

C16H18N2O2S — CID 95329156

IUPAC2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSC[C@H](O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C16H18N2O2S/c19-15(13-6-2-1-3-7-13)11-21-12-16(20)18-10-14-8-4-5-9-17-14/h1-9,15,19H,10-12H2,(H,18,20)/t15-/m0/s1
InChIKeyFWKDEBCSDCGHDA-HNNXBMFYSA-N
MW302.40 g/mol
LogP2.16
Rot. Bonds7

About 2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide

2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 95329156) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID95329156
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSC[C@H](O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C16H18N2O2S/c19-15(13-6-2-1-3-7-13)11-21-12-16(20)18-10-14-8-4-5-9-17-14/h1-9,15,19H,10-12H2,(H,18,20)/t15-/m0/s1
InChIKeyFWKDEBCSDCGHDA-HNNXBMFYSA-N
XLogP2.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94815587
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
CID 111470925
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide
CID 47443078
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 51108679

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide (CID 95329156) is 2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide is O=C(CSC[C@H](O)c1ccccc1)NCc1ccccn1.
What is the InChIKey of 2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is FWKDEBCSDCGHDA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-15(13-6-2-1-3-7-13)11-21-12-16(20)18-10-14-8-4-5-9-17-14/h1-9,15,19H,10-12H2,(H,18,20)/t15-/m0/s1.
What are the key properties of 2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 95329156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).