2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide

C25H21FN2O3S — CID 3216730

IUPAC2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESO=C(NCc1ccco1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1F
InChIInChI=1S/C25H21FN2O3S/c26-21-12-4-5-13-22(21)28(23(29)16-20-11-7-15-32-20)24(18-8-2-1-3-9-18)25(30)27-17-19-10-6-14-31-19/h1-15,24H,16-17H2,(H,27,30)
InChIKeyXSNDQGHNYPCNAV-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.11
Rot. Bonds8

About 2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide

2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide (PubChem CID 3216730) has the molecular formula C25H21FN2O3S and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide
PubChem CID3216730
Molecular FormulaC25H21FN2O3S
Molecular Weight448.52 g/mol
Exact Mass448.13
IUPAC Name2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESO=C(NCc1ccco1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1F
InChIInChI=1S/C25H21FN2O3S/c26-21-12-4-5-13-22(21)28(23(29)16-20-11-7-15-32-20)24(18-8-2-1-3-9-18)25(30)27-17-19-10-6-14-31-19/h1-15,24H,16-17H2,(H,27,30)
InChIKeyXSNDQGHNYPCNAV-UHFFFAOYSA-N
XLogP5.11
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of 2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide (CID 3216730) is 2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for 2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for 2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide is O=C(NCc1ccco1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1F.
What is the InChIKey of 2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide?
The InChIKey is XSNDQGHNYPCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3S/c26-21-12-4-5-13-22(21)28(23(29)16-20-11-7-15-32-20)24(18-8-2-1-3-9-18)25(30)27-17-19-10-6-14-31-19/h1-15,24H,16-17H2,(H,27,30).
What are the key properties of 2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide?
2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 448.52 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 3216730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).