4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide

C16H19NO2S — CID 19488699

IUPAC4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1cc(COc2c(C)cccc2C)cs1
InChIInChI=1S/C16H19NO2S/c1-4-17-16(18)14-8-13(10-20-14)9-19-15-11(2)6-5-7-12(15)3/h5-8,10H,4,9H2,1-3H3,(H,17,18)
InChIKeyKTLAYWAHXLTPRI-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.69
Rot. Bonds5

About 4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide

4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide (PubChem CID 19488699) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide
PubChem CID19488699
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1cc(COc2c(C)cccc2C)cs1
InChIInChI=1S/C16H19NO2S/c1-4-17-16(18)14-8-13(10-20-14)9-19-15-11(2)6-5-7-12(15)3/h5-8,10H,4,9H2,1-3H3,(H,17,18)
InChIKeyKTLAYWAHXLTPRI-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 19488686
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
4-[(2,6-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 19486917
4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
CID 19488732
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975
4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 19486926
4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 19488696
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19486924
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 19488742
N-(2-chloro-5-nitrophenyl)-4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19488613

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide (CID 19488699) is 4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide is CCNC(=O)c1cc(COc2c(C)cccc2C)cs1.
What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide?
The InChIKey is KTLAYWAHXLTPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-4-17-16(18)14-8-13(10-20-14)9-19-15-11(2)6-5-7-12(15)3/h5-8,10H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide?
4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 19488699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).