2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide

C24H20FN3O3S — CID 3216722

IUPAC2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
SMILESO=C(NCc1ccco1)C(c1ccncc1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C24H20FN3O3S/c25-18-4-1-5-19(14-18)28(22(29)15-21-7-3-13-32-21)23(17-8-10-26-11-9-17)24(30)27-16-20-6-2-12-31-20/h1-14,23H,15-16H2,(H,27,30)
InChIKeyDQHDRFLHLBRNTI-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.51
Rot. Bonds8

About 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide

2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide (PubChem CID 3216722) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
PubChem CID3216722
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC Name2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
SMILESO=C(NCc1ccco1)C(c1ccncc1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C24H20FN3O3S/c25-18-4-1-5-19(14-18)28(22(29)15-21-7-3-13-32-21)23(17-8-10-26-11-9-17)24(30)27-16-20-6-2-12-31-20/h1-14,23H,15-16H2,(H,27,30)
InChIKeyDQHDRFLHLBRNTI-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-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide?
The IUPAC name of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide (CID 3216722) is 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide?
The canonical SMILES for 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide is O=C(NCc1ccco1)C(c1ccncc1)N(C(=O)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide?
The InChIKey is DQHDRFLHLBRNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c25-18-4-1-5-19(14-18)28(22(29)15-21-7-3-13-32-21)23(17-8-10-26-11-9-17)24(30)27-16-20-6-2-12-31-20/h1-14,23H,15-16H2,(H,27,30).
What are the key properties of 2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide?
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide 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-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3216722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).