N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

C20H25NO2S — CID 95368026

IUPACN-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NC[C@@](C)(O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(2)24-18-11-9-16(10-12-18)13-19(22)21-14-20(3,23)17-7-5-4-6-8-17/h4-12,15,23H,13-14H2,1-3H3,(H,21,22)/t20-/m1/s1
InChIKeyOVYXOMZJTGHEDN-HXUWFJFHSA-N
MW343.49 g/mol
LogP3.75
Rot. Bonds7

About N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 95368026) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID95368026
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NC[C@@](C)(O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(2)24-18-11-9-16(10-12-18)13-19(22)21-14-20(3,23)17-7-5-4-6-8-17/h4-12,15,23H,13-14H2,1-3H3,(H,21,22)/t20-/m1/s1
InChIKeyOVYXOMZJTGHEDN-HXUWFJFHSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 110771379
N-(2-hydroxy-2-phenylpropyl)-2-naphthalen-2-ylacetamide
CID 111335174
N-(cyanomethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 96663358
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880
[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid
CID 115171438
(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
CID 95769505
N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974
2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771391
2-[3-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 111334767
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
CID 110021066

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 95368026) is N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)NC[C@@](C)(O)c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is OVYXOMZJTGHEDN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15(2)24-18-11-9-16(10-12-18)13-19(22)21-14-20(3,23)17-7-5-4-6-8-17/h4-12,15,23H,13-14H2,1-3H3,(H,21,22)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 343.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 95368026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).