N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide

C15H25NO2S — CID 103843539

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
SMILESCCC(CC)(CO)CNC(=O)CCCc1cccs1
InChIInChI=1S/C15H25NO2S/c1-3-15(4-2,12-17)11-16-14(18)9-5-7-13-8-6-10-19-13/h6,8,10,17H,3-5,7,9,11-12H2,1-2H3,(H,16,18)
InChIKeySGGMDWRUAVASRR-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.99
Rot. Bonds9

About N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide (PubChem CID 103843539) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
PubChem CID103843539
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
SMILESCCC(CC)(CO)CNC(=O)CCCc1cccs1
InChIInChI=1S/C15H25NO2S/c1-3-15(4-2,12-17)11-16-14(18)9-5-7-13-8-6-10-19-13/h6,8,10,17H,3-5,7,9,11-12H2,1-2H3,(H,16,18)
InChIKeySGGMDWRUAVASRR-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide
CID 114164697
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
CID 113331524
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
3-methyl-2-[(4-thiophen-2-ylbutanoylamino)methyl]butanoic acid
CID 65220323
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide
CID 103843642
N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
CID 66178126
N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
CID 106255533
N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide
CID 110303146

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide (CID 103843539) is N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide is CCC(CC)(CO)CNC(=O)CCCc1cccs1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide?
The InChIKey is SGGMDWRUAVASRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-15(4-2,12-17)11-16-14(18)9-5-7-13-8-6-10-19-13/h6,8,10,17H,3-5,7,9,11-12H2,1-2H3,(H,16,18).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide has a molecular weight of 283.44 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 103843539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).