N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide

C13H21NO2S — CID 79386844

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(C)c(C)s1
InChIInChI=1S/C13H21NO2S/c1-6-14(8-13(4,5)16)12(15)11-7-9(2)10(3)17-11/h7,16H,6,8H2,1-5H3
InChIKeyUJGKUOCKTPIUDG-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.60
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 79386844) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID79386844
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(C)c(C)s1
InChIInChI=1S/C13H21NO2S/c1-6-14(8-13(4,5)16)12(15)11-7-9(2)10(3)17-11/h7,16H,6,8H2,1-5H3
InChIKeyUJGKUOCKTPIUDG-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
CID 79384871
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide
CID 79996289
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
N,5-diethyl-N-(2-hydroxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 79376648
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 86978498
N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65112566
N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide
CID 65238122
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 79386735
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 111596080
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide (CID 79386844) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide is CCN(CC(C)(C)O)C(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is UJGKUOCKTPIUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-6-14(8-13(4,5)16)12(15)11-7-9(2)10(3)17-11/h7,16H,6,8H2,1-5H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 255.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 79386844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).