3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide

C14H23NO2S — CID 113237947

IUPAC3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C14H23NO2S/c1-5-10-6-7-18-12(10)13(17)15-9-11(16)8-14(2,3)4/h6-7,11,16H,5,8-9H2,1-4H3,(H,15,17)
InChIKeyFWOMHNJDFSTTDP-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.84
Rot. Bonds5

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

3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide (PubChem CID 113237947) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide
PubChem CID113237947
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C14H23NO2S/c1-5-10-6-7-18-12(10)13(17)15-9-11(16)8-14(2,3)4/h6-7,11,16H,5,8-9H2,1-4H3,(H,15,17)
InChIKeyFWOMHNJDFSTTDP-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474524
2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65217931
3-ethyl-N-(4-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 66107939
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
CID 119527260
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473902
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051
N-[(2R)-1-aminopropan-2-yl]-3-ethylthiophene-2-carboxamide
CID 104872864
N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
CID 103676431
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide
CID 102979948

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide (CID 113237947) is 3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide is CCc1ccsc1C(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of 3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide?
The InChIKey is FWOMHNJDFSTTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-10-6-7-18-12(10)13(17)15-9-11(16)8-14(2,3)4/h6-7,11,16H,5,8-9H2,1-4H3,(H,15,17).
What are the key properties of 3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide?
3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide has a molecular weight of 269.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide is sourced from PubChem (CID 113237947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).