5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide

C23H24N2O2S — CID 21046084

IUPAC5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide
SMILESC=CCC(NC(=O)c1ccc(CSc2c(C)cccc2C)o1)c1ccncc1
InChIInChI=1S/C23H24N2O2S/c1-4-6-20(18-11-13-24-14-12-18)25-23(26)21-10-9-19(27-21)15-28-22-16(2)7-5-8-17(22)3/h4-5,7-14,20H,1,6,15H2,2-3H3,(H,25,26)
InChIKeyGWNOAIXKEITKGJ-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.63
Rot. Bonds8

About 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide

5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide (PubChem CID 21046084) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide
PubChem CID21046084
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide
SMILESC=CCC(NC(=O)c1ccc(CSc2c(C)cccc2C)o1)c1ccncc1
InChIInChI=1S/C23H24N2O2S/c1-4-6-20(18-11-13-24-14-12-18)25-23(26)21-10-9-19(27-21)15-28-22-16(2)7-5-8-17(22)3/h4-5,7-14,20H,1,6,15H2,2-3H3,(H,25,26)
InChIKeyGWNOAIXKEITKGJ-UHFFFAOYSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)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

ethyl 2-[[5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carbonyl]amino]propanoate
CID 21046503
5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide
CID 21045872
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 21046086
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046099
5-[(2-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582719
N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103944448
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046091
N-[(4-cyanocyclohexyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047914
N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047159
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047070
N-[1-(4-bromophenyl)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55616635
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212131

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide (CID 21046084) is 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide is C=CCC(NC(=O)c1ccc(CSc2c(C)cccc2C)o1)c1ccncc1.
What is the InChIKey of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide?
The InChIKey is GWNOAIXKEITKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-4-6-20(18-11-13-24-14-12-18)25-23(26)21-10-9-19(27-21)15-28-22-16(2)7-5-8-17(22)3/h4-5,7-14,20H,1,6,15H2,2-3H3,(H,25,26).
What are the key properties of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide?
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide is sourced from PubChem (CID 21046084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).