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

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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).