4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide

C22H23NO2S — CID 19471602

IUPAC4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C)c(OCc2csc(C(=O)Nc3c(C)cccc3C)c2)c1
InChIInChI=1S/C22H23NO2S/c1-14-8-9-15(2)19(10-14)25-12-18-11-20(26-13-18)22(24)23-21-16(3)6-5-7-17(21)4/h5-11,13H,12H2,1-4H3,(H,23,24)
InChIKeyJEPNLMXXSFVYBI-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.81
Rot. Bonds5

About 4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide

4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide (PubChem CID 19471602) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
PubChem CID19471602
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C)c(OCc2csc(C(=O)Nc3c(C)cccc3C)c2)c1
InChIInChI=1S/C22H23NO2S/c1-14-8-9-15(2)19(10-14)25-12-18-11-20(26-13-18)22(24)23-21-16(3)6-5-7-17(21)4/h5-11,13H,12H2,1-4H3,(H,23,24)
InChIKeyJEPNLMXXSFVYBI-UHFFFAOYSA-N
XLogP5.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 19471659
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
N-butyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471741
4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19471754
N-(3,5-dichloro-2-pyridinyl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471583
4-[(2,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19471645
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471721
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471601
4-[(2,6-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 19486917
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471766

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide (CID 19471602) is 4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide is Cc1ccc(C)c(OCc2csc(C(=O)Nc3c(C)cccc3C)c2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide?
The InChIKey is JEPNLMXXSFVYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-14-8-9-15(2)19(10-14)25-12-18-11-20(26-13-18)22(24)23-21-16(3)6-5-7-17(21)4/h5-11,13H,12H2,1-4H3,(H,23,24).
What are the key properties of 4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide?
4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19471602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).