N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

C26H26N2O2S — CID 21047771

IUPACN-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
SMILESCc1cc(C)c(Cc2ccc(C(=O)N(Cc3cccnc3)Cc3ccsc3)o2)c(C)c1
InChIInChI=1S/C26H26N2O2S/c1-18-11-19(2)24(20(3)12-18)13-23-6-7-25(30-23)26(29)28(16-22-8-10-31-17-22)15-21-5-4-9-27-14-21/h4-12,14,17H,13,15-16H2,1-3H3
InChIKeyDEEYDIMWVLZROV-UHFFFAOYSA-N
MW430.57 g/mol
LogP6.09
Rot. Bonds7

About N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21047771) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
PubChem CID21047771
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC NameN-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
SMILESCc1cc(C)c(Cc2ccc(C(=O)N(Cc3cccnc3)Cc3ccsc3)o2)c(C)c1
InChIInChI=1S/C26H26N2O2S/c1-18-11-19(2)24(20(3)12-18)13-23-6-7-25(30-23)26(29)28(16-22-8-10-31-17-22)15-21-5-4-9-27-14-21/h4-12,14,17H,13,15-16H2,1-3H3
InChIKeyDEEYDIMWVLZROV-UHFFFAOYSA-N
XLogP6.09
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
2-(2-Furoylamino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1033230
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 2917799
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
5-{[(3-methylbenzyl)sulfonyl]methyl}-N-(pyridin-3-ylmethyl)-2-furamide
CID 3238668
5-{[(4-methylbenzyl)sulfonyl]methyl}-N-(pyridin-3-ylmethyl)-2-furamide
CID 3242582
5-[(2-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 3244296
N-{4,5-dimethyl-3-[(4-methylpiperidin-1-yl)(pyridin-3-yl)methyl]thiophen-2-yl}furan-2-carboxamide
CID 3875781
4-(3-acetylphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49790948
ALP-POS-b0bc6a46-7
CID 156906937
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216729
3-(methylsulfanylmethyl)-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
CID 2572379

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (CID 21047771) is N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is Cc1cc(C)c(Cc2ccc(C(=O)N(Cc3cccnc3)Cc3ccsc3)o2)c(C)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is DEEYDIMWVLZROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-18-11-19(2)24(20(3)12-18)13-23-6-7-25(30-23)26(29)28(16-22-8-10-31-17-22)15-21-5-4-9-27-14-21/h4-12,14,17H,13,15-16H2,1-3H3.
What are the key properties of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).