ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate

C23H25NO7S — CID 16560210

IUPACethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C23H25NO7S/c1-4-24(5-2)32(27,28)17-13-11-16(12-14-17)22(25)30-15-19-18-9-7-8-10-20(18)31-21(19)23(26)29-6-3/h7-14H,4-6,15H2,1-3H3
InChIKeyKFPYJHIJESSLHN-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.00
Rot. Bonds9

About ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate

ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate (PubChem CID 16560210) has the molecular formula C23H25NO7S and a molecular weight of 459.52 g/mol. Its IUPAC name is ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
PubChem CID16560210
Molecular FormulaC23H25NO7S
Molecular Weight459.52 g/mol
Exact Mass459.14
IUPAC Nameethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C23H25NO7S/c1-4-24(5-2)32(27,28)17-13-11-16(12-14-17)22(25)30-15-19-18-9-7-8-10-20(18)31-21(19)23(26)29-6-3/h7-14H,4-6,15H2,1-3H3
InChIKeyKFPYJHIJESSLHN-UHFFFAOYSA-N
XLogP4.00
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[[4-(hydroxymethyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8535590
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
ethyl 3-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 30023537
(2-methylphenyl)methyl 4-(diethylsulfamoyl)benzoate
CID 7784760
ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 4685045
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697
ethyl 3-[(5-methylthiophene-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560148
ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 30019126
(4-methoxycarbonylphenyl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660302
ethyl 3-[[2-[(S)-methylsulfinyl]benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 11927023
ethyl 3-[(2,3,4-trimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8509793

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate (CID 16560210) is ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate?
The InChIKey is KFPYJHIJESSLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO7S/c1-4-24(5-2)32(27,28)17-13-11-16(12-14-17)22(25)30-15-19-18-9-7-8-10-20(18)31-21(19)23(26)29-6-3/h7-14H,4-6,15H2,1-3H3.
What are the key properties of ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate?
ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate has a molecular weight of 459.52 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 16560210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).