[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

C17H20N2O7S2 — CID 55730614

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)o1
InChIInChI=1S/C17H20N2O7S2/c1-19(2)28(23,24)17-9-8-15(26-17)13-25-16(20)12-18-27(21,22)11-10-14-6-4-3-5-7-14/h3-11,18H,12-13H2,1-2H3/b11-10+
InChIKeyKXIOVDVCIDSFLE-ZHACJKMWSA-N
MW428.49 g/mol
LogP1.16
Rot. Bonds9

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (PubChem CID 55730614) has the molecular formula C17H20N2O7S2 and a molecular weight of 428.49 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
PubChem CID55730614
Molecular FormulaC17H20N2O7S2
Molecular Weight428.49 g/mol
Exact Mass428.07
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)o1
InChIInChI=1S/C17H20N2O7S2/c1-19(2)28(23,24)17-9-8-15(26-17)13-25-16(20)12-18-27(21,22)11-10-14-6-4-3-5-7-14/h3-11,18H,12-13H2,1-2H3/b11-10+
InChIKeyKXIOVDVCIDSFLE-ZHACJKMWSA-N
XLogP1.16
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate with MolForge

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Related Compounds

propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate
CID 3318697
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate
CID 55998995
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8892232
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826987
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 18285226
[2-(4-ethylphenyl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826850
[2-(2-methylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826957

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CID 55730614) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is CN(C)S(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The InChIKey is KXIOVDVCIDSFLE-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H20N2O7S2/c1-19(2)28(23,24)17-9-8-15(26-17)13-25-16(20)12-18-27(21,22)11-10-14-6-4-3-5-7-14/h3-11,18H,12-13H2,1-2H3/b11-10+.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate has a molecular weight of 428.49 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is sourced from PubChem (CID 55730614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).