[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate

C16H19NO7S — CID 55730705

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)c(OC)c1
InChIInChI=1S/C16H19NO7S/c1-17(2)25(19,20)15-8-6-12(24-15)10-23-16(18)13-7-5-11(21-3)9-14(13)22-4/h5-9H,10H2,1-4H3
InChIKeyLMBFINJOJXCZKO-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.90
Rot. Bonds7

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate (PubChem CID 55730705) has the molecular formula C16H19NO7S and a molecular weight of 369.40 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate
PubChem CID55730705
Molecular FormulaC16H19NO7S
Molecular Weight369.40 g/mol
Exact Mass369.09
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)c(OC)c1
InChIInChI=1S/C16H19NO7S/c1-17(2)25(19,20)15-8-6-12(24-15)10-23-16(18)13-7-5-11(21-3)9-14(13)22-4/h5-9H,10H2,1-4H3
InChIKeyLMBFINJOJXCZKO-UHFFFAOYSA-N
XLogP1.90
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate
CID 55730810
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3,5-difluorobenzoate
CID 55730540
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-bromo-5-methoxy-4-propoxybenzoate
CID 55730566
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate
CID 55730706
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55730450
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 55730900
3-hydroxypropyl 2,4-dimethoxybenzoate
CID 116863011
[5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55730923
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55730623
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate
CID 55730273
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate (CID 55730705) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)c(OC)c1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate?
The InChIKey is LMBFINJOJXCZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO7S/c1-17(2)25(19,20)15-8-6-12(24-15)10-23-16(18)13-7-5-11(21-3)9-14(13)22-4/h5-9H,10H2,1-4H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate has a molecular weight of 369.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate is sourced from PubChem (CID 55730705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).