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

C11H17NO2S — CID 90523992

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCC(O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-8(2)11(14)12-6-5-9(13)10-4-3-7-15-10/h3-4,7-9,13H,5-6H2,1-2H3,(H,12,14)
InChIKeyCHBKZIGIOISALF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.94
Rot. Bonds5

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

N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide (PubChem CID 90523992) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
PubChem CID90523992
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCC(O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-8(2)11(14)12-6-5-9(13)10-4-3-7-15-10/h3-4,7-9,13H,5-6H2,1-2H3,(H,12,14)
InChIKeyCHBKZIGIOISALF-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 90523997
2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787802
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90524116
N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81409142
1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea
CID 71787902
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90524247
1-(3-hydroxy-3-thiophen-2-ylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 90524306
N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide
CID 90524242
(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 11515325
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-nitrobenzamide
CID 90524043
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide
CID 113407006

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide (CID 90523992) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide is CC(C)C(=O)NCCC(O)c1cccs1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide?
The InChIKey is CHBKZIGIOISALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)11(14)12-6-5-9(13)10-4-3-7-15-10/h3-4,7-9,13H,5-6H2,1-2H3,(H,12,14).
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide has a molecular weight of 227.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide is sourced from PubChem (CID 90523992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).