methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate

C19H17FN2O4S2 — CID 3723347

IUPACmethyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C19H17FN2O4S2/c1-26-19(23)18-16(12-17(27-18)13-5-7-14(20)8-6-13)22-28(24,25)11-9-15-4-2-3-10-21-15/h2-8,10,12,22H,9,11H2,1H3
InChIKeyYAARDPYTJHZPKT-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.72
Rot. Bonds7

About methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate

methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate (PubChem CID 3723347) has the molecular formula C19H17FN2O4S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate
PubChem CID3723347
Molecular FormulaC19H17FN2O4S2
Molecular Weight420.49 g/mol
Exact Mass420.06
IUPAC Namemethyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C19H17FN2O4S2/c1-26-19(23)18-16(12-17(27-18)13-5-7-14(20)8-6-13)22-28(24,25)11-9-15-4-2-3-10-21-15/h2-8,10,12,22H,9,11H2,1H3
InChIKeyYAARDPYTJHZPKT-UHFFFAOYSA-N
XLogP3.72
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate (CID 3723347) is methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate is COC(=O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate?
The InChIKey is YAARDPYTJHZPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S2/c1-26-19(23)18-16(12-17(27-18)13-5-7-14(20)8-6-13)22-28(24,25)11-9-15-4-2-3-10-21-15/h2-8,10,12,22H,9,11H2,1H3.
What are the key properties of methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate?
methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-3-(2-pyridin-2-ylethylsulfonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 3723347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).