ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate

C15H14FNO3S — CID 2670327

IUPACethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C15H14FNO3S/c1-3-20-15(19)13-9(2)8-12(21-13)17-14(18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyFGCOTORAFOLFLP-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.62
Rot. Bonds4

About ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate

ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate (PubChem CID 2670327) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
PubChem CID2670327
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Nameethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C15H14FNO3S/c1-3-20-15(19)13-9(2)8-12(21-13)17-14(18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyFGCOTORAFOLFLP-UHFFFAOYSA-N
XLogP3.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate (CID 2670327) is ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)cc1C.
What is the InChIKey of ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The InChIKey is FGCOTORAFOLFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-3-20-15(19)13-9(2)8-12(21-13)17-14(18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2670327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).