N-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide

C20H25NO2S — CID 56765368

IUPACN-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCC(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)
InChIKeyOVYXOMZJTGHEDN-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.75
Rot. Bonds7

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

N-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 56765368) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID56765368
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCC(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)
InChIKeyOVYXOMZJTGHEDN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 56765368) is N-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)NCC(C)(O)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is OVYXOMZJTGHEDN-UHFFFAOYSA-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).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-(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-(2-hydroxy-2-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 56765368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).