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

C24H20FN3O3S — CID 43813446

IUPAC2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NCc1ccco1)C(c1ccccc1F)N(C(=O)Cc1cccs1)c1cccnc1
InChIInChI=1S/C24H20FN3O3S/c25-21-10-2-1-9-20(21)23(24(30)27-16-18-7-4-12-31-18)28(17-6-3-11-26-15-17)22(29)14-19-8-5-13-32-19/h1-13,15,23H,14,16H2,(H,27,30)
InChIKeyZSHHYRDWLLGMEU-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.51
Rot. Bonds8

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

2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 43813446) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID43813446
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC Name2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NCc1ccco1)C(c1ccccc1F)N(C(=O)Cc1cccs1)c1cccnc1
InChIInChI=1S/C24H20FN3O3S/c25-21-10-2-1-9-20(21)23(24(30)27-16-18-7-4-12-31-18)28(17-6-3-11-26-15-17)22(29)14-19-8-5-13-32-19/h1-13,15,23H,14,16H2,(H,27,30)
InChIKeyZSHHYRDWLLGMEU-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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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide
CID 3240671
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
4-(4-Fluoro-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 644788
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-furan-2-yl-methyl)-pyridin-3-yl-carbamoyl]-methyl}-amide
CID 649544
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 651472
2-Fluoro-N-{(E)-1-[(furan-2-ylmethyl)-carbamoyl]-2-pyridin-3-yl-vinyl}-benzamide
CID 1833672
N-(2-furylmethyl)-2-(8-quinolylthio)acetamide
CID 2306374
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2998762
Pyridine-2-carboxylic acid [cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl]-furan-2-ylmethyl-amide
CID 3205967
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 3206071

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 43813446) is 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is O=C(NCc1ccco1)C(c1ccccc1F)N(C(=O)Cc1cccs1)c1cccnc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is ZSHHYRDWLLGMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c25-21-10-2-1-9-20(21)23(24(30)27-16-18-7-4-12-31-18)28(17-6-3-11-26-15-17)22(29)14-19-8-5-13-32-19/h1-13,15,23H,14,16H2,(H,27,30).
What are the key properties of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
2-(2-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-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 43813446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).