ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate

C19H15FN2O3S — CID 19224296

IUPACethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccn1
InChIInChI=1S/C19H15FN2O3S/c1-2-25-19(24)16-14(12-6-8-13(20)9-7-12)11-26-18(16)22-17(23)15-5-3-4-10-21-15/h3-11H,2H2,1H3,(H,22,23)
InChIKeyAPIFCWAFTLSMNL-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.38
Rot. Bonds5

About ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate

ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 19224296) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
PubChem CID19224296
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Nameethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccn1
InChIInChI=1S/C19H15FN2O3S/c1-2-25-19(24)16-14(12-6-8-13(20)9-7-12)11-26-18(16)22-17(23)15-5-3-4-10-21-15/h3-11H,2H2,1H3,(H,22,23)
InChIKeyAPIFCWAFTLSMNL-UHFFFAOYSA-N
XLogP4.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)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 4,5-dimethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 1672531
methyl 2-[(2-pyrazinylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 822711
Methyl 4-methyl-2-(2-(4-(pyridin-4-yl)phenyl)acetamido)thiophene-3-carboxylate
CID 45104966
Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate
CID 874726
Ethyl 5'-(isonicotinamido)-[2,3'-bithiophene]-4'-carboxylate
CID 661910
Methyl 2-(pyridine-3-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 1277419
Diethyl 3-methyl-5-[[2-(pyridin-2-ylmethylamino)acetyl]amino]thiophene-2,4-dicarboxylate
CID 2338868
Ethyl 2-[[2-[1-[2-[(2-fluorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5019563
[2-[(3-Ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776315
4-(Dimethylamino)-1-({[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl)pyridin-1-ium chloride
CID 16192966
Ethyl 2-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate chloride
CID 16195926
Methyl 3-(2-(4-(pyridin-4-yl)phenyl)acetamido)thiophene-2-carboxylate
CID 52950113

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate (CID 19224296) is ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccn1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is APIFCWAFTLSMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c1-2-25-19(24)16-14(12-6-8-13(20)9-7-12)11-26-18(16)22-17(23)15-5-3-4-10-21-15/h3-11H,2H2,1H3,(H,22,23).
What are the key properties of ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate?
ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 19224296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).