3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide

C12H19NO2S — CID 66107939

IUPAC3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC(C)CCO
InChIInChI=1S/C12H19NO2S/c1-3-10-5-7-16-11(10)12(15)13-8-9(2)4-6-14/h5,7,9,14H,3-4,6,8H2,1-2H3,(H,13,15)
InChIKeyIDOTWQNFQNOQNA-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.06
Rot. Bonds6

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

3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide (PubChem CID 66107939) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide
PubChem CID66107939
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC(C)CCO
InChIInChI=1S/C12H19NO2S/c1-3-10-5-7-16-11(10)12(15)13-8-9(2)4-6-14/h5,7,9,14H,3-4,6,8H2,1-2H3,(H,13,15)
InChIKeyIDOTWQNFQNOQNA-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65217931
3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide
CID 109479175
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 113237947
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
CID 119527260
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474524
3-bromo-N-(4-bromo-2-methylbutyl)thiophene-2-carboxamide
CID 114316813
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 60566688
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide (CID 66107939) is 3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide is CCc1ccsc1C(=O)NCC(C)CCO.
What is the InChIKey of 3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide?
The InChIKey is IDOTWQNFQNOQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-10-5-7-16-11(10)12(15)13-8-9(2)4-6-14/h5,7,9,14H,3-4,6,8H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide?
3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 66107939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).