N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide

C17H21NO2S — CID 111442221

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
SMILESCC(CC(=O)NCC(C)(O)c1cccs1)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-13(14-7-4-3-5-8-14)11-16(19)18-12-17(2,20)15-9-6-10-21-15/h3-10,13,20H,11-12H2,1-2H3,(H,18,19)
InChIKeyVJLDZNLPOBOMRC-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.27
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide (PubChem CID 111442221) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
PubChem CID111442221
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
SMILESCC(CC(=O)NCC(C)(O)c1cccs1)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-13(14-7-4-3-5-8-14)11-16(19)18-12-17(2,20)15-9-6-10-21-15/h3-10,13,20H,11-12H2,1-2H3,(H,18,19)
InChIKeyVJLDZNLPOBOMRC-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111442087
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111443990
2-(diethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111441786
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
CID 111442061
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
CID 111478844
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
CID 43006702
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide
CID 111519603

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide (CID 111442221) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide is CC(CC(=O)NCC(C)(O)c1cccs1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide?
The InChIKey is VJLDZNLPOBOMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13(14-7-4-3-5-8-14)11-16(19)18-12-17(2,20)15-9-6-10-21-15/h3-10,13,20H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide has a molecular weight of 303.43 g/mol, XLogP of 3.27, 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-thiophen-2-ylpropyl)-3-phenylbutanamide is sourced from PubChem (CID 111442221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).