methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate

C19H19NO5S3 — CID 155801484

IUPACmethyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3cccs3)s2)c1
InChIInChI=1S/C19H19NO5S3/c1-24-15-7-5-13(19(21)25-2)12-18(15)28(22,23)20-10-9-14-6-8-17(27-14)16-4-3-11-26-16/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyWVOWGNUJCUAUMR-UHFFFAOYSA-N
MW437.56 g/mol
LogP3.79
Rot. Bonds8

About methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate

methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate (PubChem CID 155801484) has the molecular formula C19H19NO5S3 and a molecular weight of 437.56 g/mol. Its IUPAC name is methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate
PubChem CID155801484
Molecular FormulaC19H19NO5S3
Molecular Weight437.56 g/mol
Exact Mass437.04
IUPAC Namemethyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3cccs3)s2)c1
InChIInChI=1S/C19H19NO5S3/c1-24-15-7-5-13(19(21)25-2)12-18(15)28(22,23)20-10-9-14-6-8-17(27-14)16-4-3-11-26-16/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyWVOWGNUJCUAUMR-UHFFFAOYSA-N
XLogP3.79
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate with MolForge

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Related Compounds

4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
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CID 110323254
2,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322519
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 46582229
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155800416
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 106034891
4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 110675023
methyl 4-methoxy-3-[[5-(2H-tetrazol-5-yl)-2-thiophen-2-ylphenyl]sulfamoyl]benzoate
CID 155271665
5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 7693532
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974346
2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide
CID 155801431
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate (CID 155801484) is methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate is COC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3cccs3)s2)c1.
What is the InChIKey of methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate?
The InChIKey is WVOWGNUJCUAUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S3/c1-24-15-7-5-13(19(21)25-2)12-18(15)28(22,23)20-10-9-14-6-8-17(27-14)16-4-3-11-26-16/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate?
methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate has a molecular weight of 437.56 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[2-(5-thiophen-2-ylthiophen-2-yl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 155801484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).