methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate

C16H16N4O4S2 — CID 71807972

IUPACmethyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCn1ccc(-c2ccccn2)n1
InChIInChI=1S/C16H16N4O4S2/c1-24-16(21)15-14(6-11-25-15)26(22,23)18-8-10-20-9-5-13(19-20)12-4-2-3-7-17-12/h2-7,9,11,18H,8,10H2,1H3
InChIKeyZMYFNYUWDPLQQR-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.77
Rot. Bonds7

About methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate

methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate (PubChem CID 71807972) has the molecular formula C16H16N4O4S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
PubChem CID71807972
Molecular FormulaC16H16N4O4S2
Molecular Weight392.46 g/mol
Exact Mass392.06
IUPAC Namemethyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCn1ccc(-c2ccccn2)n1
InChIInChI=1S/C16H16N4O4S2/c1-24-16(21)15-14(6-11-25-15)26(22,23)18-8-10-20-9-5-13(19-20)12-4-2-3-7-17-12/h2-7,9,11,18H,8,10H2,1H3
InChIKeyZMYFNYUWDPLQQR-UHFFFAOYSA-N
XLogP1.77
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 24817068
methyl 3-(N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 71808070
methyl 3-(N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)sulfamoyl)thiophene-2-carboxylate
CID 71790798
methyl 3-(N-(2-(4-methyl-5-oxo-3-(pyridin-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 71793742
methyl 4-(N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)benzoate
CID 71807977
methyl 3-(N-(2-(3-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 72718543
methyl 3-(N-(2-(3,5-dicyclopropyl-1H-pyrazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 72718793
methyl 3-(N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 86266427
methyl 4-(N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)benzoate
CID 86266428
methyl 3-(N-((2-(thiophen-2-yl)pyridin-3-yl)methyl)sulfamoyl)thiophene-2-carboxylate
CID 91625862
Methyl 3-[3-fluoro-2-(2-fluoro-3-pyridinyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylthiophene-2-carboxylate
CID 67152705
Methyl 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfamoyl]thiophene-2-carboxylate
CID 3853190

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate (CID 71807972) is methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCCn1ccc(-c2ccccn2)n1.
What is the InChIKey of methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is ZMYFNYUWDPLQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S2/c1-24-16(21)15-14(6-11-25-15)26(22,23)18-8-10-20-9-5-13(19-20)12-4-2-3-7-17-12/h2-7,9,11,18H,8,10H2,1H3.
What are the key properties of methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71807972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).