N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide

C22H23NO3S — CID 19486859

IUPACN-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCCOc1ccccc1OCc1csc(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C22H23NO3S/c1-4-25-19-7-5-6-8-20(19)26-13-17-12-21(27-14-17)22(24)23-18-10-15(2)9-16(3)11-18/h5-12,14H,4,13H2,1-3H3,(H,23,24)
InChIKeyNHQWEJQFJGNBTJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.59
Rot. Bonds7

About N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide

N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19486859) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19486859
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCCOc1ccccc1OCc1csc(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C22H23NO3S/c1-4-25-19-7-5-6-8-20(19)26-13-17-12-21(27-14-17)22(24)23-18-10-15(2)9-16(3)11-18/h5-12,14H,4,13H2,1-3H3,(H,23,24)
InChIKeyNHQWEJQFJGNBTJ-UHFFFAOYSA-N
XLogP5.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455
4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19495261
N-cyclopentyl-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486863
4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19503002
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505356
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498796
N-(2-ethoxyphenyl)-4-methylthiophene-2-carboxamide
CID 110860143
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489010

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide (CID 19486859) is N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide is CCOc1ccccc1OCc1csc(C(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is NHQWEJQFJGNBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-4-25-19-7-5-6-8-20(19)26-13-17-12-21(27-14-17)22(24)23-18-10-15(2)9-16(3)11-18/h5-12,14H,4,13H2,1-3H3,(H,23,24).
What are the key properties of N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide?
N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19486859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).