methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate

C13H14N2O4S2 — CID 18148314

IUPACmethyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C13H14N2O4S2/c1-9(10-5-3-4-7-14-10)15-21(17,18)11-6-8-20-12(11)13(16)19-2/h3-9,15H,1-2H3
InChIKeyFCVVAYOKYXDBHS-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.97
Rot. Bonds5

About methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate

methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate (PubChem CID 18148314) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate
PubChem CID18148314
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Namemethyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C13H14N2O4S2/c1-9(10-5-3-4-7-14-10)15-21(17,18)11-6-8-20-12(11)13(16)19-2/h3-9,15H,1-2H3
InChIKeyFCVVAYOKYXDBHS-UHFFFAOYSA-N
XLogP1.97
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate (CID 18148314) is methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NC(C)c1ccccn1.
What is the InChIKey of methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is FCVVAYOKYXDBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-9(10-5-3-4-7-14-10)15-21(17,18)11-6-8-20-12(11)13(16)19-2/h3-9,15H,1-2H3.
What are the key properties of methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 18148314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).