N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide

C12H19NO2S — CID 90499744

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
SMILESCCCCC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-3-4-7-11(14)13-9-12(2,15)10-6-5-8-16-10/h5-6,8,15H,3-4,7,9H2,1-2H3,(H,13,14)
InChIKeyHVUNXFFADXUIFS-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.26
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide (PubChem CID 90499744) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
PubChem CID90499744
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
SMILESCCCCC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-3-4-7-11(14)13-9-12(2,15)10-6-5-8-16-10/h5-6,8,15H,3-4,7,9H2,1-2H3,(H,13,14)
InChIKeyHVUNXFFADXUIFS-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111441786
3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
CID 111442061
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide
CID 80527343
N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 71782464
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
CID 111442221
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 111720004
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
CID 111442014
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide (CID 90499744) is N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide is CCCCC(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide?
The InChIKey is HVUNXFFADXUIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-4-7-11(14)13-9-12(2,15)10-6-5-8-16-10/h5-6,8,15H,3-4,7,9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide has a molecular weight of 241.36 g/mol, XLogP of 2.26, 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)pentanamide is sourced from PubChem (CID 90499744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).