ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate

C16H15F2NO3S — CID 78779030

IUPACethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO3S/c1-3-9-8-10(16(21)22-4-2)15(23-9)19-14(20)13-11(17)6-5-7-12(13)18/h5-8H,3-4H2,1-2H3,(H,19,20)
InChIKeyLMQKTDRHAXWBSW-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.02
Rot. Bonds5

About ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate

ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate (PubChem CID 78779030) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
PubChem CID78779030
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Nameethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO3S/c1-3-9-8-10(16(21)22-4-2)15(23-9)19-14(20)13-11(17)6-5-7-12(13)18/h5-8H,3-4H2,1-2H3,(H,19,20)
InChIKeyLMQKTDRHAXWBSW-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2,6-difluorobenzoyl)amino]-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate
CID 46094909
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874629
ethyl 2-[(2,6-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 78771957
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
ethyl 5-ethyl-2-[[3-(methoxymethyl)benzoyl]amino]thiophene-3-carboxylate
CID 33146285
ethyl 5-ethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 1406514
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 43408258
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate (CID 78779030) is ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is LMQKTDRHAXWBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-3-9-8-10(16(21)22-4-2)15(23-9)19-14(20)13-11(17)6-5-7-12(13)18/h5-8H,3-4H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate?
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 339.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 78779030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).