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

C16H19NO2S — CID 19471527

IUPACN-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(COc2ccc(CC)cc2)cs1
InChIInChI=1S/C16H19NO2S/c1-3-12-5-7-14(8-6-12)19-10-13-9-15(20-11-13)16(18)17-4-2/h5-9,11H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyQNXOOUAOPKGQSJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.64
Rot. Bonds6

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

N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19471527) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19471527
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(COc2ccc(CC)cc2)cs1
InChIInChI=1S/C16H19NO2S/c1-3-12-5-7-14(8-6-12)19-10-13-9-15(20-11-13)16(18)17-4-2/h5-9,11H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyQNXOOUAOPKGQSJ-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460
4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide
CID 19488699
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620562
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471501
methyl 4-[[4-(2-methoxy-2-oxoethyl)phenoxy]methyl]thiophene-2-carboxylate
CID 167967974
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492957
N-butyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491241
4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19483323
4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19505625
4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 19505532

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide (CID 19471527) is N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide is CCNC(=O)c1cc(COc2ccc(CC)cc2)cs1.
What is the InChIKey of N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is QNXOOUAOPKGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-12-5-7-14(8-6-12)19-10-13-9-15(20-11-13)16(18)17-4-2/h5-9,11H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide?
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19471527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).