N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide

C20H25NO2S — CID 71782259

IUPACN-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(2)24-18-10-8-16(9-11-18)14-20(23)21-13-12-19(22)17-6-4-3-5-7-17/h3-11,15,19,22H,12-14H2,1-2H3,(H,21,23)
InChIKeyJZTPJUUEFIUYFH-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.97
Rot. Bonds8

About N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 71782259) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID71782259
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(2)24-18-10-8-16(9-11-18)14-20(23)21-13-12-19(22)17-6-4-3-5-7-17/h3-11,15,19,22H,12-14H2,1-2H3,(H,21,23)
InChIKeyJZTPJUUEFIUYFH-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 71782259) is N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)NCCC(O)c2ccccc2)cc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is JZTPJUUEFIUYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15(2)24-18-10-8-16(9-11-18)14-20(23)21-13-12-19(22)17-6-4-3-5-7-17/h3-11,15,19,22H,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 343.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 71782259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).