methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate

C19H19NO5S2 — CID 71804217

IUPACmethyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)cc1
InChIInChI=1S/C19H19NO5S2/c1-24-19(21)16-4-6-18(7-5-16)27(22,23)20(13-15-9-11-25-14-15)10-8-17-3-2-12-26-17/h2-7,9,11-12,14H,8,10,13H2,1H3
InChIKeyXLJNRTQTJQVQKL-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.56
Rot. Bonds8

About methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate

methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate (PubChem CID 71804217) has the molecular formula C19H19NO5S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate
PubChem CID71804217
Molecular FormulaC19H19NO5S2
Molecular Weight405.50 g/mol
Exact Mass405.07
IUPAC Namemethyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)cc1
InChIInChI=1S/C19H19NO5S2/c1-24-19(21)16-4-6-18(7-5-16)27(22,23)20(13-15-9-11-25-14-15)10-8-17-3-2-12-26-17/h2-7,9,11-12,14H,8,10,13H2,1H3
InChIKeyXLJNRTQTJQVQKL-UHFFFAOYSA-N
XLogP3.56
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate (CID 71804217) is methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)cc1.
What is the InChIKey of methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate?
The InChIKey is XLJNRTQTJQVQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S2/c1-24-19(21)16-4-6-18(7-5-16)27(22,23)20(13-15-9-11-25-14-15)10-8-17-3-2-12-26-17/h2-7,9,11-12,14H,8,10,13H2,1H3.
What are the key properties of methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate?
methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate has a molecular weight of 405.50 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]benzoate is sourced from PubChem (CID 71804217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).