3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide

C16H17NO2S — CID 94209938

IUPAC3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CSC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C16H17NO2S/c17-16(19)14-8-4-5-12(9-14)10-20-11-15(18)13-6-2-1-3-7-13/h1-9,15,18H,10-11H2,(H2,17,19)/t15-/m0/s1
InChIKeyMHWTZIVZFBAKSP-HNNXBMFYSA-N
MW287.38 g/mol
LogP2.75
Rot. Bonds6

About 3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide

3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide (PubChem CID 94209938) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide
PubChem CID94209938
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CSC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C16H17NO2S/c17-16(19)14-8-4-5-12(9-14)10-20-11-15(18)13-6-2-1-3-7-13/h1-9,15,18H,10-11H2,(H2,17,19)/t15-/m0/s1
InChIKeyMHWTZIVZFBAKSP-HNNXBMFYSA-N
XLogP2.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-benzylsulfanylethanol
CID 62265593
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenylethanol
CID 78977116
3-benzylbenzamide;hydrochloride
CID 159409318
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
3-[(3-aminophenyl)sulfanylmethyl]benzamide
CID 79133655
3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide
CID 115659478
(1S)-2-[[6-[[(2S)-2-hydroxy-2-phenylethyl]sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1-phenylethanol
CID 15441991
3-(dihydroxymethyl)benzamide
CID 174476205
3-[(3S)-3-hydroxy-3-phenylpropyl]benzoic acid
CID 125468319
3-[(2-aminophenyl)sulfanylmethyl]benzoic acid
CID 61317411
4-amino-3-benzylsulfanylbenzamide
CID 55189643
3-[amino(hydroxy)methyl]benzamide
CID 140561822

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide?
The IUPAC name of 3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide (CID 94209938) is 3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide?
The canonical SMILES for 3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide is NC(=O)c1cccc(CSC[C@H](O)c2ccccc2)c1.
What is the InChIKey of 3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide?
The InChIKey is MHWTZIVZFBAKSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO2S/c17-16(19)14-8-4-5-12(9-14)10-20-11-15(18)13-6-2-1-3-7-13/h1-9,15,18H,10-11H2,(H2,17,19)/t15-/m0/s1.
What are the key properties of 3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide?
3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide has a molecular weight of 287.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-hydroxy-2-phenylethyl]sulfanylmethyl]benzamide is sourced from PubChem (CID 94209938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).