5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide

C13H21NO3S — CID 103799470

IUPAC5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC(CCO)COC)cc1C
InChIInChI=1S/C13H21NO3S/c1-4-11-9(2)7-12(18-11)13(16)14-10(5-6-15)8-17-3/h7,10,15H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyOKEJGBHWUKELHJ-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.75
Rot. Bonds7

About 5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide

5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide (PubChem CID 103799470) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
PubChem CID103799470
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC(CCO)COC)cc1C
InChIInChI=1S/C13H21NO3S/c1-4-11-9(2)7-12(18-11)13(16)14-10(5-6-15)8-17-3/h7,10,15H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyOKEJGBHWUKELHJ-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 78802800
5-ethyl-N-(2-methoxyethoxy)-4-methylthiophene-2-carboxamide
CID 79675744
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 120506339
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 103850889
(2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 107563412
5-(3-aminoprop-1-ynyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990327
N-(4-hydroxy-1-methoxybutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103799171
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 106154208
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
CID 60728044
N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 119627644

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide (CID 103799470) is 5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NC(CCO)COC)cc1C.
What is the InChIKey of 5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is OKEJGBHWUKELHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-11-9(2)7-12(18-11)13(16)14-10(5-6-15)8-17-3/h7,10,15H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of 5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide?
5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 271.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103799470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).