N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide

C12H19NO2S — CID 103843642

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-3-12(4-2,9-14)8-13-11(15)10-6-5-7-16-10/h5-7,14H,3-4,8-9H2,1-2H3,(H,13,15)
InChIKeyYQEWUKRNBFYESQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide (PubChem CID 103843642) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide
PubChem CID103843642
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-3-12(4-2,9-14)8-13-11(15)10-6-5-7-16-10/h5-7,14H,3-4,8-9H2,1-2H3,(H,13,15)
InChIKeyYQEWUKRNBFYESQ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
CID 113331524
N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 39698381
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
CID 103843539
N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 113476087
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide
CID 115626836
N-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyl-3-thiophen-2-ylpropanoic acid
CID 160563507
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide (CID 103843642) is N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide is CCC(CC)(CO)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide?
The InChIKey is YQEWUKRNBFYESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-12(4-2,9-14)8-13-11(15)10-6-5-7-16-10/h5-7,14H,3-4,8-9H2,1-2H3,(H,13,15).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide is sourced from PubChem (CID 103843642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).