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

C24H20FN3O3S — CID 3216728

IUPAC2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NCc1ccco1)C(c1ccc(F)cc1)N(C(=O)Cc1cccs1)c1cccnc1
InChIInChI=1S/C24H20FN3O3S/c25-18-9-7-17(8-10-18)23(24(30)27-16-20-5-2-12-31-20)28(19-4-1-11-26-15-19)22(29)14-21-6-3-13-32-21/h1-13,15,23H,14,16H2,(H,27,30)
InChIKeyBTCAJPZYVYWQEN-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.51
Rot. Bonds8

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

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3216728) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3216728
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC Name2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NCc1ccco1)C(c1ccc(F)cc1)N(C(=O)Cc1cccs1)c1cccnc1
InChIInChI=1S/C24H20FN3O3S/c25-18-9-7-17(8-10-18)23(24(30)27-16-20-5-2-12-31-20)28(19-4-1-11-26-15-19)22(29)14-21-6-3-13-32-21/h1-13,15,23H,14,16H2,(H,27,30)
InChIKeyBTCAJPZYVYWQEN-UHFFFAOYSA-N
XLogP4.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3216728) is 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is O=C(NCc1ccco1)C(c1ccc(F)cc1)N(C(=O)Cc1cccs1)c1cccnc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is BTCAJPZYVYWQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c25-18-9-7-17(8-10-18)23(24(30)27-16-20-5-2-12-31-20)28(19-4-1-11-26-15-19)22(29)14-21-6-3-13-32-21/h1-13,15,23H,14,16H2,(H,27,30).
What are the key properties of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 449.51 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3216728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).