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

C12H19NO2S — CID 43391463

IUPAC4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC(CC)CO)sc1C
InChIInChI=1S/C12H19NO2S/c1-4-9-6-11(16-8(9)3)12(15)13-10(5-2)7-14/h6,10,14H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyIFUMHORVGTVDOK-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.12
Rot. Bonds5

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

4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 43391463) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID43391463
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC(CC)CO)sc1C
InChIInChI=1S/C12H19NO2S/c1-4-9-6-11(16-8(9)3)12(15)13-10(5-2)7-14/h6,10,14H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyIFUMHORVGTVDOK-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
N-isopropyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 687094
N-(1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 3525896
N-(2-hydroxyethyl)-4H,5H,6H-cyclopenta[b]thiophene-2-carboxamide
CID 3868055
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
4,5-dimethyl-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide
CID 19585414
4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 24684648
4-Ethyl-5-methyl-N-(2-methyl-2-morpholinopropyl)thiophene-2-carboxamide
CID 24981570
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(2-hydroxy-3-((2-thienylcarbonyl)amino)propyl)-2,2,5,5-tetramethyl-
CID 14306942
3-Methyl-2-((thiophen-2-yl)formamido)butanoic acid
CID 2771110
2-[4-Methyl-2-[(5-methylthiophene-2-carbonyl)amino]pentyl]sulfanylacetic acid
CID 23316641
N-heptan-4-yl-5-methylthiophene-2-carboxamide
CID 57527918

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide (CID 43391463) is 4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NC(CC)CO)sc1C.
What is the InChIKey of 4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is IFUMHORVGTVDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-9-6-11(16-8(9)3)12(15)13-10(5-2)7-14/h6,10,14H,4-5,7H2,1-3H3,(H,13,15).
What are the key properties of 4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide?
4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 43391463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).