N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide

C11H17NO2S — CID 17217430

IUPACN-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide
SMILESCOCCNC(=O)c1csc(C(C)C)c1
InChIInChI=1S/C11H17NO2S/c1-8(2)10-6-9(7-15-10)11(13)12-4-5-14-3/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyMBGOUFIHPIVEGC-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.25
Rot. Bonds5

About N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide

N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 17217430) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide
PubChem CID17217430
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide
SMILESCOCCNC(=O)c1csc(C(C)C)c1
InChIInChI=1S/C11H17NO2S/c1-8(2)10-6-9(7-15-10)11(13)12-4-5-14-3/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyMBGOUFIHPIVEGC-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide (CID 17217430) is N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide is COCCNC(=O)c1csc(C(C)C)c1.
What is the InChIKey of N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is MBGOUFIHPIVEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)10-6-9(7-15-10)11(13)12-4-5-14-3/h6-8H,4-5H2,1-3H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide?
N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 17217430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).