methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate

C15H15N3O5S2 — CID 71797350

IUPACmethyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1cc(-c2ccco2)n(C)n1
InChIInChI=1S/C15H15N3O5S2/c1-18-11(12-4-3-6-23-12)8-10(17-18)9-16-25(20,21)13-5-7-24-14(13)15(19)22-2/h3-8,16H,9H2,1-2H3
InChIKeyDEKIILYDHKBMJA-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.01
Rot. Bonds6

About methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 71797350) has the molecular formula C15H15N3O5S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate
PubChem CID71797350
Molecular FormulaC15H15N3O5S2
Molecular Weight381.44 g/mol
Exact Mass381.05
IUPAC Namemethyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1cc(-c2ccco2)n(C)n1
InChIInChI=1S/C15H15N3O5S2/c1-18-11(12-4-3-6-23-12)8-10(17-18)9-16-25(20,21)13-5-7-24-14(13)15(19)22-2/h3-8,16H,9H2,1-2H3
InChIKeyDEKIILYDHKBMJA-UHFFFAOYSA-N
XLogP2.01
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate (CID 71797350) is methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1cc(-c2ccco2)n(C)n1.
What is the InChIKey of methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is DEKIILYDHKBMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S2/c1-18-11(12-4-3-6-23-12)8-10(17-18)9-16-25(20,21)13-5-7-24-14(13)15(19)22-2/h3-8,16H,9H2,1-2H3.
What are the key properties of methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71797350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).