N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide

C12H19NO2S — CID 103843618

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-3-12(4-2,9-14)8-13-11(15)10-5-6-16-7-10/h5-7,14H,3-4,8-9H2,1-2H3,(H,13,15)
InChIKeyIQULJIMIKPXBOJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide (PubChem CID 103843618) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
PubChem CID103843618
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-3-12(4-2,9-14)8-13-11(15)10-5-6-16-7-10/h5-7,14H,3-4,8-9H2,1-2H3,(H,13,15)
InChIKeyIQULJIMIKPXBOJ-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-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide
CID 103843642
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
3-hydroxy-3-methyl-4-(thiophene-3-carbonylamino)butanoic acid
CID 66000914
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
N-(3-amino-2,2-difluoropropyl)thiophene-3-carboxamide
CID 114383347
N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide
CID 103843738
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide (CID 103843618) is N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide is CCC(CC)(CO)CNC(=O)c1ccsc1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide?
The InChIKey is IQULJIMIKPXBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-12(4-2,9-14)8-13-11(15)10-5-6-16-7-10/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-3-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-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-3-carboxamide is sourced from PubChem (CID 103843618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).