5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide

C13H21NO2S — CID 115701533

IUPAC5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC(O)C(C)C)cc1C
InChIInChI=1S/C13H21NO2S/c1-5-11-9(4)6-12(17-11)13(16)14-7-10(15)8(2)3/h6,8,10,15H,5,7H2,1-4H3,(H,14,16)
InChIKeyWUKINRHLHHZNAL-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.37
Rot. Bonds5

About 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide

5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide (PubChem CID 115701533) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide
PubChem CID115701533
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC(O)C(C)C)cc1C
InChIInChI=1S/C13H21NO2S/c1-5-11-9(4)6-12(17-11)13(16)14-7-10(15)8(2)3/h6,8,10,15H,5,7H2,1-4H3,(H,14,16)
InChIKeyWUKINRHLHHZNAL-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 113258539
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 114006203
N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 119627644
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 120506339
ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
CID 60728044
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide
CID 80711832
5-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 78802800
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 43054046
5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 52800521
N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide
CID 119658907
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 86950498

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide (CID 115701533) is 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NCC(O)C(C)C)cc1C.
What is the InChIKey of 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide?
The InChIKey is WUKINRHLHHZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-11-9(4)6-12(17-11)13(16)14-7-10(15)8(2)3/h6,8,10,15H,5,7H2,1-4H3,(H,14,16).
What are the key properties of 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide?
5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide has a molecular weight of 255.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 115701533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).