N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide

C14H23NO2S — CID 111485911

IUPACN-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCCC(O)(CC)CNC(=O)C(C)(C)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-5-14(17,6-2)10-15-12(16)13(3,4)11-8-7-9-18-11/h7-9,17H,5-6,10H2,1-4H3,(H,15,16)
InChIKeyGUEZMIONSFOFEA-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.69
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide

N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide (PubChem CID 111485911) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide
PubChem CID111485911
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCCC(O)(CC)CNC(=O)C(C)(C)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-5-14(17,6-2)10-15-12(16)13(3,4)11-8-7-9-18-11/h7-9,17H,5-6,10H2,1-4H3,(H,15,16)
InChIKeyGUEZMIONSFOFEA-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 119642853
N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111825074
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]propanoic acid
CID 119249396
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 71972444
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
CID 119234391
N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 110698390
7-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]heptanoic acid
CID 119227273
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
2-carbamothioyl-2-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 80527462
2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
CID 80526849

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide (CID 111485911) is N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide is CCC(O)(CC)CNC(=O)C(C)(C)c1cccs1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide?
The InChIKey is GUEZMIONSFOFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-14(17,6-2)10-15-12(16)13(3,4)11-8-7-9-18-11/h7-9,17H,5-6,10H2,1-4H3,(H,15,16).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide?
N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 269.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 111485911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).