ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate

C19H18FNO5S — CID 2627168

IUPACethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO5S/c1-2-25-19(24)16-14(11-3-4-11)10-27-17(16)21-15(22)9-26-18(23)12-5-7-13(20)8-6-12/h5-8,10-11H,2-4,9H2,1H3,(H,21,22)
InChIKeyCQCHXDUCESEMFL-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.74
Rot. Bonds7

About ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 2627168) has the molecular formula C19H18FNO5S and a molecular weight of 391.42 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID2627168
Molecular FormulaC19H18FNO5S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC Nameethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO5S/c1-2-25-19(24)16-14(11-3-4-11)10-27-17(16)21-15(22)9-26-18(23)12-5-7-13(20)8-6-12/h5-8,10-11H,2-4,9H2,1H3,(H,21,22)
InChIKeyCQCHXDUCESEMFL-UHFFFAOYSA-N
XLogP3.74
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-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 4-cyclopropyl-2-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
CID 8552784
ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 55476907
[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7554193
ethyl 4-cyclopropyl-2-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 8019991
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 2605744
ethyl 4-cyclopropyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 51535452
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
ethyl 2-(5-bromopentanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 103601671
ethyl 2-[[2-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 9065788
ethyl 4-cyclopropyl-2-[[2-(1,1-dioxothiolane-3-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 55425930
ethyl 4-cyclopropyl-2-[[2-(2-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 7819088

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate (CID 2627168) is ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is CQCHXDUCESEMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5S/c1-2-25-19(24)16-14(11-3-4-11)10-27-17(16)21-15(22)9-26-18(23)12-5-7-13(20)8-6-12/h5-8,10-11H,2-4,9H2,1H3,(H,21,22).
What are the key properties of ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 391.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 2627168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).