N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide

C25H23N3O3S — CID 3216729

IUPACN-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCc1ccc(C(C(=O)NCc2ccco2)N(C(=O)Cc2cccs2)c2cccnc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-18-8-10-19(11-9-18)24(25(30)27-17-21-6-3-13-31-21)28(20-5-2-12-26-16-20)23(29)15-22-7-4-14-32-22/h2-14,16,24H,15,17H2,1H3,(H,27,30)
InChIKeyKJYMDKQDFKZZPB-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.68
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide

N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3216729) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3216729
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCc1ccc(C(C(=O)NCc2ccco2)N(C(=O)Cc2cccs2)c2cccnc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-18-8-10-19(11-9-18)24(25(30)27-17-21-6-3-13-31-21)28(20-5-2-12-26-16-20)23(29)15-22-7-4-14-32-22/h2-14,16,24H,15,17H2,1H3,(H,27,30)
InChIKeyKJYMDKQDFKZZPB-UHFFFAOYSA-N
XLogP4.68
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3216729) is N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)Cc2cccs2)c2cccnc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is KJYMDKQDFKZZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-18-8-10-19(11-9-18)24(25(30)27-17-21-6-3-13-31-21)28(20-5-2-12-26-16-20)23(29)15-22-7-4-14-32-22/h2-14,16,24H,15,17H2,1H3,(H,27,30).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 445.54 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3216729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).