methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate

C18H22N2O8S — CID 46438353

IUPACmethyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate
SMILESCNS(=O)(=O)c1ccc(C(=O)NC(CC(=O)OC)c2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C18H22N2O8S/c1-19-29(23,24)17-8-7-14(28-17)18(22)20-12(10-16(21)27-4)11-5-6-13(25-2)15(9-11)26-3/h5-9,12,19H,10H2,1-4H3,(H,20,22)
InChIKeyGRBXFQKMBZYDKG-UHFFFAOYSA-N
MW426.45 g/mol
LogP1.24
Rot. Bonds9

About methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate

methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate (PubChem CID 46438353) has the molecular formula C18H22N2O8S and a molecular weight of 426.45 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate
PubChem CID46438353
Molecular FormulaC18H22N2O8S
Molecular Weight426.45 g/mol
Exact Mass426.11
IUPAC Namemethyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate
SMILESCNS(=O)(=O)c1ccc(C(=O)NC(CC(=O)OC)c2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C18H22N2O8S/c1-19-29(23,24)17-8-7-14(28-17)18(22)20-12(10-16(21)27-4)11-5-6-13(25-2)15(9-11)26-3/h5-9,12,19H,10H2,1-4H3,(H,20,22)
InChIKeyGRBXFQKMBZYDKG-UHFFFAOYSA-N
XLogP1.24
TPSA133.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-(3,4-dimethoxyphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoate
CID 46546810
methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 46637244
propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate
CID 46429434
methyl 3-[[4-(aminomethyl)benzoyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 119274269
methyl 3-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 42920265
methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]propanoate
CID 46597144
methyl 3-(3,4-dimethoxyphenyl)-3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]propanoate
CID 55490451
methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate
CID 51314456
methyl 3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440930
methyl 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoate
CID 17439253
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 40917742
methyl 3-(2H-benzotriazole-5-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoate
CID 17425922

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate (CID 46438353) is methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate is CNS(=O)(=O)c1ccc(C(=O)NC(CC(=O)OC)c2ccc(OC)c(OC)c2)o1.
What is the InChIKey of methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate?
The InChIKey is GRBXFQKMBZYDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O8S/c1-19-29(23,24)17-8-7-14(28-17)18(22)20-12(10-16(21)27-4)11-5-6-13(25-2)15(9-11)26-3/h5-9,12,19H,10H2,1-4H3,(H,20,22).
What are the key properties of methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate?
methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate has a molecular weight of 426.45 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate is sourced from PubChem (CID 46438353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).