N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide

C15H17NO2S — CID 2174511

IUPACN-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide
SMILESCCc1ccc(OCCNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-12-5-7-13(8-6-12)18-10-9-16-15(17)14-4-3-11-19-14/h3-8,11H,2,9-10H2,1H3,(H,16,17)
InChIKeyDQVBOJJHGUSAOS-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide

N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide (PubChem CID 2174511) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide
PubChem CID2174511
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide
SMILESCCc1ccc(OCCNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-12-5-7-13(8-6-12)18-10-9-16-15(17)14-4-3-11-19-14/h3-8,11H,2,9-10H2,1H3,(H,16,17)
InChIKeyDQVBOJJHGUSAOS-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.12
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-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide (CID 2174511) is N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide is CCc1ccc(OCCNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is DQVBOJJHGUSAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-12-5-7-13(8-6-12)18-10-9-16-15(17)14-4-3-11-19-14/h3-8,11H,2,9-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide?
N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2174511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).