N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide

C13H21NO2S — CID 103899658

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
SMILESCC(C)(CCCO)CNC(=O)Cc1ccsc1
InChIInChI=1S/C13H21NO2S/c1-13(2,5-3-6-15)10-14-12(16)8-11-4-7-17-9-11/h4,7,9,15H,3,5-6,8,10H2,1-2H3,(H,14,16)
InChIKeyLLVACLQBDQHRNH-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.21
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide

N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide (PubChem CID 103899658) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
PubChem CID103899658
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
SMILESCC(C)(CCCO)CNC(=O)Cc1ccsc1
InChIInChI=1S/C13H21NO2S/c1-13(2,5-3-6-15)10-14-12(16)8-11-4-7-17-9-11/h4,7,9,15H,3,5-6,8,10H2,1-2H3,(H,14,16)
InChIKeyLLVACLQBDQHRNH-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415
N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide
CID 106149651
1-(4-hydroxy-2,2-dimethylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504565
2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 75441471
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115968855
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119641880

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide (CID 103899658) is N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide is CC(C)(CCCO)CNC(=O)Cc1ccsc1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide?
The InChIKey is LLVACLQBDQHRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-13(2,5-3-6-15)10-14-12(16)8-11-4-7-17-9-11/h4,7,9,15H,3,5-6,8,10H2,1-2H3,(H,14,16).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide has a molecular weight of 255.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 103899658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).