N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide

C11H17NO2S — CID 79381712

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-4-12(8-11(2,3)14)10(13)9-6-5-7-15-9/h5-7,14H,4,8H2,1-3H3
InChIKeyLREDKEUEDNPQSI-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide (PubChem CID 79381712) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
PubChem CID79381712
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-4-12(8-11(2,3)14)10(13)9-6-5-7-15-9/h5-7,14H,4,8H2,1-3H3
InChIKeyLREDKEUEDNPQSI-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethylthiophene-2-carboxamide
CID 962897
N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79386751
CID 69259223
CID 69259223
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 111596646
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79291050
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 60643349
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
CID 22925217
6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79386284
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide
CID 79386844
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide (CID 79381712) is N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide is CCN(CC(C)(C)O)C(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is LREDKEUEDNPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-12(8-11(2,3)14)10(13)9-6-5-7-15-9/h5-7,14H,4,8H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.98, 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)thiophene-2-carboxamide is sourced from PubChem (CID 79381712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).