4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide

C16H18FNO2S — CID 37363004

IUPAC4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCCOc2ccc(F)cc2)sc1C
InChIInChI=1S/C16H18FNO2S/c1-3-12-10-15(21-11(12)2)16(19)18-8-9-20-14-6-4-13(17)5-7-14/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyOWCFLHIDYQCFNO-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.57
Rot. Bonds6

About 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide

4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 37363004) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID37363004
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCCOc2ccc(F)cc2)sc1C
InChIInChI=1S/C16H18FNO2S/c1-3-12-10-15(21-11(12)2)16(19)18-8-9-20-14-6-4-13(17)5-7-14/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyOWCFLHIDYQCFNO-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(4-chloro-2-methylphenoxy)ethyl)thiophene-2-carboxamide
CID 592973
N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
Thiophene derivative, 3f
CID 25023799
2-(benzylsulfanyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 1959067
4-[(1-{[2-Oxo-2-(thiophen-3-yl)ethyl]amino}cyclopentyl)methoxy]benzamide
CID 16725905
4-[(2R)-2-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}propoxy]benzamide
CID 23647085
N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2363992
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2364677
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2385440
N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2477202
N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3371205

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide (CID 37363004) is 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NCCOc2ccc(F)cc2)sc1C.
What is the InChIKey of 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is OWCFLHIDYQCFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-3-12-10-15(21-11(12)2)16(19)18-8-9-20-14-6-4-13(17)5-7-14/h4-7,10H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 37363004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).