[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

C15H12F2N2O4S — CID 7808095

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1cccs1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F2N2O4S/c16-10-4-3-9(6-11(10)17)19-13(20)8-23-14(21)7-18-15(22)12-2-1-5-24-12/h1-6H,7-8H2,(H,18,22)(H,19,20)
InChIKeyLZMFSXHTKMULGO-UHFFFAOYSA-N
MW354.33 g/mol
LogP1.94
Rot. Bonds6

About [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 7808095) has the molecular formula C15H12F2N2O4S and a molecular weight of 354.33 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID7808095
Molecular FormulaC15H12F2N2O4S
Molecular Weight354.33 g/mol
Exact Mass354.05
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1cccs1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F2N2O4S/c16-10-4-3-9(6-11(10)17)19-13(20)8-23-14(21)7-18-15(22)12-2-1-5-24-12/h1-6H,7-8H2,(H,18,22)(H,19,20)
InChIKeyLZMFSXHTKMULGO-UHFFFAOYSA-N
XLogP1.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3687826
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807897
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 34306220
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 75621335
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962789
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066239
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 16598721
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574084
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547340
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 7808095) is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is O=C(COC(=O)CNC(=O)c1cccs1)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is LZMFSXHTKMULGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4S/c16-10-4-3-9(6-11(10)17)19-13(20)8-23-14(21)7-18-15(22)12-2-1-5-24-12/h1-6H,7-8H2,(H,18,22)(H,19,20).
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 354.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 7808095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).