N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide

C14H21NO2S — CID 94209967

IUPACN-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSC[C@H](O)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)15-13(17)10-18-9-12(16)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyVXOXYJHHJOIVJI-LBPRGKRZSA-N
MW267.39 g/mol
LogP2.37
Rot. Bonds5

About N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide

N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide (PubChem CID 94209967) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide
PubChem CID94209967
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSC[C@H](O)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)15-13(17)10-18-9-12(16)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyVXOXYJHHJOIVJI-LBPRGKRZSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide
CID 47443078
2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 94806128
2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 52769842
2-(2-hydroxy-2-phenylethyl)sulfanyl-2-methylpropanoic acid
CID 81230756
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94815587
2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95329156
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94808913
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
N-(cyclohexylcarbamoyl)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94813876
(4S)-4-hydroxy-2,2-dimethyl-4-phenylbutanoic acid
CID 95562171
S-(2-hydroxy-2-phenylethyl) ethanethioate
CID 54671680

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide (CID 94209967) is N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide is CC(C)(C)NC(=O)CSC[C@H](O)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
The InChIKey is VXOXYJHHJOIVJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,3)15-13(17)10-18-9-12(16)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide?
N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide has a molecular weight of 267.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide is sourced from PubChem (CID 94209967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).