dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate

C19H17NO6S2 — CID 3640880

IUPACdimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2cccc3ccccc23)c(C(=O)OC)c1C
InChIInChI=1S/C19H17NO6S2/c1-11-15(17(21)25-2)19(27-16(11)18(22)26-3)28(23,24)20-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,20H,1-3H3
InChIKeyBJLFICSYZUSYJV-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.58
Rot. Bonds5

About dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate

dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate (PubChem CID 3640880) has the molecular formula C19H17NO6S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate
PubChem CID3640880
Molecular FormulaC19H17NO6S2
Molecular Weight419.48 g/mol
Exact Mass419.05
IUPAC Namedimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2cccc3ccccc23)c(C(=O)OC)c1C
InChIInChI=1S/C19H17NO6S2/c1-11-15(17(21)25-2)19(27-16(11)18(22)26-3)28(23,24)20-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,20H,1-3H3
InChIKeyBJLFICSYZUSYJV-UHFFFAOYSA-N
XLogP3.58
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 4008693
2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]benzoate
CID 3638106
dimethyl 5-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 2099861
2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]acetate
CID 2398131
dimethyl 5-[[4-(2-chlorophenoxy)phenyl]sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 3502522
dimethyl 5-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 40846926
methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
CID 1149220
dimethyl 3-methyl-5-[[2-oxo-2-[2-oxo-2-(1-phenylethylamino)ethoxy]ethyl]sulfamoyl]thiophene-2,4-dicarboxylate
CID 4830940
methyl 2-[(2,3-dimethylphenyl)sulfamoyl]-6-(2-methylsulfanylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26358842
dimethyl 2-benzothiophene-1,3-dicarboxylate
CID 24977408
dimethyl picene-13,14-dicarboxylate
CID 101053496
methyl 2-[(2,3-dimethylphenyl)sulfamoyl]-6-(2-methylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 25400267

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate (CID 3640880) is dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate is COC(=O)c1sc(S(=O)(=O)Nc2cccc3ccccc23)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate?
The InChIKey is BJLFICSYZUSYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S2/c1-11-15(17(21)25-2)19(27-16(11)18(22)26-3)28(23,24)20-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,20H,1-3H3.
What are the key properties of dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate?
dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate has a molecular weight of 419.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 3640880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).