N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide

C14H14FNO2S — CID 19469568

IUPACN-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C14H14FNO2S/c1-2-16-14(17)13-7-10(9-19-13)8-18-12-5-3-11(15)4-6-12/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyVZDUXFNMOKWXDU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.22
Rot. Bonds5

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

N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19469568) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19469568
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C14H14FNO2S/c1-2-16-14(17)13-7-10(9-19-13)8-18-12-5-3-11(15)4-6-12/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyVZDUXFNMOKWXDU-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469562
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide
CID 19488699
4-[(4-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19469556
4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 19469603
4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19469491

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19469568) is N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide is CCNC(=O)c1cc(COc2ccc(F)cc2)cs1.
What is the InChIKey of N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is VZDUXFNMOKWXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-2-16-14(17)13-7-10(9-19-13)8-18-12-5-3-11(15)4-6-12/h3-7,9H,2,8H2,1H3,(H,16,17).
What are the key properties of N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19469568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).