ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate

C22H19NO5S — CID 169244642

IUPACethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2c1C
InChIInChI=1S/C22H19NO5S/c1-3-27-22(24)21-14(2)19-13-18(10-11-20(19)28-21)29(25,26)23-17-9-8-15-6-4-5-7-16(15)12-17/h4-13,23H,3H2,1-2H3
InChIKeyARRXYKDYVBVZGI-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.87
Rot. Bonds5

About ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate

ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate (PubChem CID 169244642) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate
PubChem CID169244642
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC Nameethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2c1C
InChIInChI=1S/C22H19NO5S/c1-3-27-22(24)21-14(2)19-13-18(10-11-20(19)28-21)29(25,26)23-17-9-8-15-6-4-5-7-16(15)12-17/h4-13,23H,3H2,1-2H3
InChIKeyARRXYKDYVBVZGI-UHFFFAOYSA-N
XLogP4.87
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate
CID 127048856
ethyl 3-methyl-5-[(3-propan-2-ylphenyl)sulfonylamino]-1-benzofuran-2-carboxylate
CID 145274263
ethyl 5-[[4-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 46381103
ethyl 3-methyl-5-[(2-phenylacetyl)sulfamoyl]-1-benzofuran-2-carboxylate
CID 169244624
ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 120875134
ethyl 7-chloro-2-methyl-5-(naphthalen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 4049549
ethyl 3-methyl-5-[2-[3-(methylamino)phenyl]ethylsulfamoyl]-1-benzofuran-2-carboxylate
CID 170307542
ethyl 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 170307497
ethyl 5-[2-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 169244621
ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 20962018
ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 120876450
ethyl 3-methyl-5-[[(3S)-pyrrolidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 124725014

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate (CID 169244642) is ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2c1C.
What is the InChIKey of ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate?
The InChIKey is ARRXYKDYVBVZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5S/c1-3-27-22(24)21-14(2)19-13-18(10-11-20(19)28-21)29(25,26)23-17-9-8-15-6-4-5-7-16(15)12-17/h4-13,23H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate?
ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate has a molecular weight of 409.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 169244642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).