N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide

C21H21NO2S — CID 71782444

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC(O)c1cccs1
InChIInChI=1S/C21H21NO2S/c23-19(20-12-7-13-25-20)15-22-21(24)14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,18-19,23H,14-15H2,(H,22,24)
InChIKeyWUQWAHIHWAWITG-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.12
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide (PubChem CID 71782444) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide
PubChem CID71782444
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC(O)c1cccs1
InChIInChI=1S/C21H21NO2S/c23-19(20-12-7-13-25-20)15-22-21(24)14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,18-19,23H,14-15H2,(H,22,24)
InChIKeyWUQWAHIHWAWITG-UHFFFAOYSA-N
XLogP4.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.12
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-thiophen-2-ylethyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide (CID 71782444) is N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)NCC(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide?
The InChIKey is WUQWAHIHWAWITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c23-19(20-12-7-13-25-20)15-22-21(24)14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,18-19,23H,14-15H2,(H,22,24).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-3,3-diphenylpropanamide has a molecular weight of 351.47 g/mol, XLogP of 4.12, 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-thiophen-2-ylethyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 71782444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).