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

C15H14FNO3S — CID 759964

IUPACethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1ccccc1F
InChIInChI=1S/C15H14FNO3S/c1-3-20-15(19)11-8-9(2)21-14(11)17-13(18)10-6-4-5-7-12(10)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyWCDQRIDCMFPPEM-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.62
Rot. Bonds4

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

ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 759964) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID759964
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Nameethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1ccccc1F
InChIInChI=1S/C15H14FNO3S/c1-3-20-15(19)11-8-9(2)21-14(11)17-13(18)10-6-4-5-7-12(10)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyWCDQRIDCMFPPEM-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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Related Compounds

ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46086650
ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 63617190
ethyl 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 759965
ethyl 5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 60795103
ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616683
ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 1038105
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate
CID 60795100
ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 17410751
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794403
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
CID 65216558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate (CID 759964) is ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)c1ccccc1F.
What is the InChIKey of ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is WCDQRIDCMFPPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-3-20-15(19)11-8-9(2)21-14(11)17-13(18)10-6-4-5-7-12(10)16/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate?
ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-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 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 759964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).