methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate

C17H18N2O5S — CID 2738612

IUPACmethyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2c[nH]c3ccccc23)oc1C
InChIInChI=1S/C17H18N2O5S/c1-11-14(17(20)23-2)9-16(24-11)25(21,22)19-8-7-12-10-18-15-6-4-3-5-13(12)15/h3-6,9-10,18-19H,7-8H2,1-2H3
InChIKeyDSLCJVVMCCKRGO-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.38
Rot. Bonds6

About methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate

methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate (PubChem CID 2738612) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
PubChem CID2738612
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2c[nH]c3ccccc23)oc1C
InChIInChI=1S/C17H18N2O5S/c1-11-14(17(20)23-2)9-16(24-11)25(21,22)19-8-7-12-10-18-15-6-4-3-5-13(12)15/h3-6,9-10,18-19H,7-8H2,1-2H3
InChIKeyDSLCJVVMCCKRGO-UHFFFAOYSA-N
XLogP2.38
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate (CID 2738612) is methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCc2c[nH]c3ccccc23)oc1C.
What is the InChIKey of methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate?
The InChIKey is DSLCJVVMCCKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-11-14(17(20)23-2)9-16(24-11)25(21,22)19-8-7-12-10-18-15-6-4-3-5-13(12)15/h3-6,9-10,18-19H,7-8H2,1-2H3.
What are the key properties of methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate?
methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 2738612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).