4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide

C26H24N2O2S — CID 19471754

IUPAC4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(OCc2csc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)c1
InChIInChI=1S/C26H24N2O2S/c1-18-3-4-19(2)24(13-18)30-16-22-15-25(31-17-22)26(29)28-23-7-5-20(6-8-23)14-21-9-11-27-12-10-21/h3-13,15,17H,14,16H2,1-2H3,(H,28,29)
InChIKeyQCUDZXVHPOLMNL-UHFFFAOYSA-N
MW428.56 g/mol
LogP6.18
Rot. Bonds7

About 4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide

4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 19471754) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID19471754
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC Name4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(OCc2csc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)c1
InChIInChI=1S/C26H24N2O2S/c1-18-3-4-19(2)24(13-18)30-16-22-15-25(31-17-22)26(29)28-23-7-5-20(6-8-23)14-21-9-11-27-12-10-21/h3-13,15,17H,14,16H2,1-2H3,(H,28,29)
InChIKeyQCUDZXVHPOLMNL-UHFFFAOYSA-N
XLogP6.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19491015
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471601
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471777
4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
CID 19471602
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471766
4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 19471659
N-(3,5-dichloro-2-pyridinyl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471583
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489010
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
4-[(2,5-dimethylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19471645

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide (CID 19471754) is 4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide is Cc1ccc(C)c(OCc2csc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is QCUDZXVHPOLMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-18-3-4-19(2)24(13-18)30-16-22-15-25(31-17-22)26(29)28-23-7-5-20(6-8-23)14-21-9-11-27-12-10-21/h3-13,15,17H,14,16H2,1-2H3,(H,28,29).
What are the key properties of 4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19471754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).