methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate

C17H21N3O4S2 — CID 72718793

IUPACmethyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C17H21N3O4S2/c1-24-17(21)16-15(6-9-25-16)26(22,23)18-7-8-20-14(12-4-5-12)10-13(19-20)11-2-3-11/h6,9-12,18H,2-5,7-8H2,1H3
InChIKeyBREURVFIBWMOFT-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.46
Rot. Bonds8

About methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate

methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate (PubChem CID 72718793) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
PubChem CID72718793
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Namemethyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C17H21N3O4S2/c1-24-17(21)16-15(6-9-25-16)26(22,23)18-7-8-20-14(12-4-5-12)10-13(19-20)11-2-3-11/h6,9-12,18H,2-5,7-8H2,1H3
InChIKeyBREURVFIBWMOFT-UHFFFAOYSA-N
XLogP2.46
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate (CID 72718793) is methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCCn1nc(C2CC2)cc1C1CC1.
What is the InChIKey of methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is BREURVFIBWMOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-24-17(21)16-15(6-9-25-16)26(22,23)18-7-8-20-14(12-4-5-12)10-13(19-20)11-2-3-11/h6,9-12,18H,2-5,7-8H2,1H3.
What are the key properties of methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 395.51 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 72718793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).