[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C23H20N2O6S2 — CID 16526912

IUPAC[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCOc1cccc(-c2nc(COC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cs2)c1
InChIInChI=1S/C23H20N2O6S2/c1-29-19-5-2-4-17(12-19)22-25-18(15-32-22)14-31-23(26)16-7-9-21(10-8-16)33(27,28)24-13-20-6-3-11-30-20/h2-12,15,24H,13-14H2,1H3
InChIKeyLUOLQAULVHCCHF-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.25
Rot. Bonds9

About [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 16526912) has the molecular formula C23H20N2O6S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID16526912
Molecular FormulaC23H20N2O6S2
Molecular Weight484.56 g/mol
Exact Mass484.08
IUPAC Name[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCOc1cccc(-c2nc(COC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cs2)c1
InChIInChI=1S/C23H20N2O6S2/c1-29-19-5-2-4-17(12-19)22-25-18(15-32-22)14-31-23(26)16-7-9-21(10-8-16)33(27,28)24-13-20-6-3-11-30-20/h2-12,15,24H,13-14H2,1H3
InChIKeyLUOLQAULVHCCHF-UHFFFAOYSA-N
XLogP4.25
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 43025997
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
CID 7789627
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(carbamoylamino)benzoate
CID 8804178
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-nitrobenzoate
CID 8708451
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 46559524
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2115625
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 18103357
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
CID 7776653
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-nitrobenzoate
CID 9390927
methyl 4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylsulfonylamino]benzoate
CID 56578814

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 16526912) is [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is COc1cccc(-c2nc(COC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cs2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is LUOLQAULVHCCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6S2/c1-29-19-5-2-4-17(12-19)22-25-18(15-32-22)14-31-23(26)16-7-9-21(10-8-16)33(27,28)24-13-20-6-3-11-30-20/h2-12,15,24H,13-14H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 484.56 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 16526912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).