[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate

C16H20N2O5S — CID 55730706

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)c1
InChIInChI=1S/C16H20N2O5S/c1-17(2)13-7-5-6-12(10-13)16(19)22-11-14-8-9-15(23-14)24(20,21)18(3)4/h5-10H,11H2,1-4H3
InChIKeyMTIICTAYYGRCOF-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.95
Rot. Bonds6

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate (PubChem CID 55730706) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate
PubChem CID55730706
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)c1
InChIInChI=1S/C16H20N2O5S/c1-17(2)13-7-5-6-12(10-13)16(19)22-11-14-8-9-15(23-14)24(20,21)18(3)4/h5-10H,11H2,1-4H3
InChIKeyMTIICTAYYGRCOF-UHFFFAOYSA-N
XLogP1.95
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3,5-difluorobenzoate
CID 55730540
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55730925
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-chloro-4,5-difluorobenzoate
CID 55733852
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 55730756
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate
CID 55730810
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate
CID 55730273
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate
CID 55730705
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 55733821
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-bromo-5-methoxy-4-propoxybenzoate
CID 55730566
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-nitrofuran-2-carboxylate
CID 55730432
(4-cyanophenyl)methyl 3-(dimethylamino)benzoate
CID 2673278

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate (CID 55730706) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate is CN(C)c1cccc(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)c1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate?
The InChIKey is MTIICTAYYGRCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-17(2)13-7-5-6-12(10-13)16(19)22-11-14-8-9-15(23-14)24(20,21)18(3)4/h5-10H,11H2,1-4H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate has a molecular weight of 352.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate is sourced from PubChem (CID 55730706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).