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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Related Compounds

Furan-2-carboxylic acid [3-methyl-1-(2-thiophen-2-yl-ethyl)-piperidin-4-yl]-phenyl-amide
CID 13653720
4-benzyl-N-(2-furylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 6620067
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
3-Furan-2-ylmethyl-1-(6-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-1-thiophen-2-ylmethyl-thiourea
CID 1141373
4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt
CID 51353989
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
(2E)-N-(3-fluorophenyl)-3-(2-furyl)-2-(2-thienylcarbonylamino)prop-2-enamide
CID 2191511
Cambridge id 5874744
CID 5344329
N-[2-(2-furyl)-1-({[3-(trifluoromethyl)phenyl]amino}carbonyl)vinyl]-2-thiophenecarboxamide
CID 5435553
N-(2-furanylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-thiophenecarboxamide
CID 666219
4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4095300
CID 9894278
CID 9894278

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).