N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide

C21H21NO2S — CID 71781806

IUPACN-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide
SMILESCC(O)(CNC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NO2S/c1-21(24,15-22-20(23)14-19-8-5-13-25-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13,24H,14-15H2,1H3,(H,22,23)
InChIKeyFBSPEIQQMCZYDQ-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.98
Rot. Bonds6

About N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide

N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide (PubChem CID 71781806) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide
PubChem CID71781806
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide
SMILESCC(O)(CNC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NO2S/c1-21(24,15-22-20(23)14-19-8-5-13-25-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13,24H,14-15H2,1H3,(H,22,23)
InChIKeyFBSPEIQQMCZYDQ-UHFFFAOYSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 47317277
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylacetamide
CID 47005477
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
CID 113331524
N-(5-bromo-2,2-dimethylpentyl)-2-thiophen-2-ylacetamide
CID 106145359
N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
CID 106255533
2,6-difluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzamide
CID 71781812
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 90497502

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide (CID 71781806) is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide is CC(O)(CNC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is FBSPEIQQMCZYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-21(24,15-22-20(23)14-19-8-5-13-25-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13,24H,14-15H2,1H3,(H,22,23).
What are the key properties of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide?
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 351.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71781806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).