[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate

C17H17FN2O4S — CID 7799145

IUPAC[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)Cc1cccs1
InChIInChI=1S/C17H17FN2O4S/c1-20(10-15(21)19-13-6-4-12(18)5-7-13)16(22)11-24-17(23)9-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyXYYCACUKLGWVKW-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.07
Rot. Bonds7

About [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate

[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate (PubChem CID 7799145) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
PubChem CID7799145
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)Cc1cccs1
InChIInChI=1S/C17H17FN2O4S/c1-20(10-15(21)19-13-6-4-12(18)5-7-13)16(22)11-24-17(23)9-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyXYYCACUKLGWVKW-UHFFFAOYSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
CID 2104995
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate
CID 2352753
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2361828
[2-(4-Acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2379693
N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide
CID 3219985
[1-[4-(Dimethylamino)anilino]-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 3481272
[2-[4-(Dimethylamino)anilino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 4789751
2-[(3-Fluorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2082796
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2358374
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 8032371
2-[(2-Fluorophenyl)amino]-2-oxoethyl thiophen-2-ylacetate
CID 2341435
[2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2399511

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate (CID 7799145) is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate is CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)Cc1cccs1.
What is the InChIKey of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The InChIKey is XYYCACUKLGWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-20(10-15(21)19-13-6-4-12(18)5-7-13)16(22)11-24-17(23)9-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,19,21).
What are the key properties of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate has a molecular weight of 364.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 7799145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).