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

C24H21N3O3S — CID 3216731

IUPACN-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NCc1ccco1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1cccnc1
InChIInChI=1S/C24H21N3O3S/c28-22(15-21-11-6-14-31-21)27(19-9-4-12-25-16-19)23(18-7-2-1-3-8-18)24(29)26-17-20-10-5-13-30-20/h1-14,16,23H,15,17H2,(H,26,29)
InChIKeyUALOKJUKQXNPDQ-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.37
Rot. Bonds8

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

N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3216731) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3216731
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC NameN-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NCc1ccco1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1cccnc1
InChIInChI=1S/C24H21N3O3S/c28-22(15-21-11-6-14-31-21)27(19-9-4-12-25-16-19)23(18-7-2-1-3-8-18)24(29)26-17-20-10-5-13-30-20/h1-14,16,23H,15,17H2,(H,26,29)
InChIKeyUALOKJUKQXNPDQ-UHFFFAOYSA-N
XLogP4.37
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3216731) is N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is O=C(NCc1ccco1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1cccnc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is UALOKJUKQXNPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c28-22(15-21-11-6-14-31-21)27(19-9-4-12-25-16-19)23(18-7-2-1-3-8-18)24(29)26-17-20-10-5-13-30-20/h1-14,16,23H,15,17H2,(H,26,29).
What are the key properties of N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 431.52 g/mol, XLogP of 4.37, 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-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3216731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).