ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate

C19H18N2O4S2 — CID 172762564

IUPACethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccn2)c(C)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H18N2O4S2/c1-3-25-19(22)18-16(13-7-9-14(10-8-13)27(20,23)24)12(2)17(26-18)15-6-4-5-11-21-15/h4-11H,3H2,1-2H3,(H2,20,23,24)
InChIKeyLWPVMZPLKZBUNY-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.61
Rot. Bonds5

About ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate

ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate (PubChem CID 172762564) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
PubChem CID172762564
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Nameethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccn2)c(C)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H18N2O4S2/c1-3-25-19(22)18-16(13-7-9-14(10-8-13)27(20,23)24)12(2)17(26-18)15-6-4-5-11-21-15/h4-11H,3H2,1-2H3,(H2,20,23,24)
InChIKeyLWPVMZPLKZBUNY-UHFFFAOYSA-N
XLogP3.61
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate (CID 172762564) is ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccccn2)c(C)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
The InChIKey is LWPVMZPLKZBUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-3-25-19(22)18-16(13-7-9-14(10-8-13)27(20,23)24)12(2)17(26-18)15-6-4-5-11-21-15/h4-11H,3H2,1-2H3,(H2,20,23,24).
What are the key properties of ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate?
ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 172762564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).