ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate

C26H24N2O6S — CID 166324663

IUPACethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C26H24N2O6S/c1-3-33-26(30)19-11-8-12-21(15-19)35(31,32)27-22-13-6-4-10-20(22)17-28(2)25(29)24-16-18-9-5-7-14-23(18)34-24/h4-16,27H,3,17H2,1-2H3
InChIKeyNVOYVKPPLBLQDN-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.68
Rot. Bonds8

About ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate

ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate (PubChem CID 166324663) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
PubChem CID166324663
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Nameethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C26H24N2O6S/c1-3-33-26(30)19-11-8-12-21(15-19)35(31,32)27-22-13-6-4-10-20(22)17-28(2)25(29)24-16-18-9-5-7-14-23(18)34-24/h4-16,27H,3,17H2,1-2H3
InChIKeyNVOYVKPPLBLQDN-UHFFFAOYSA-N
XLogP4.68
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 25041610
N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide
CID 154864109
methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 36575546
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 30288210
3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 36575327
3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4807457
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665
lithium 3-ethoxycarbonylbenzenesulfonate
CID 161286233
N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
CID 109064243
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 31138226
3-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645506

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate (CID 166324663) is ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate is CCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate?
The InChIKey is NVOYVKPPLBLQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-3-33-26(30)19-11-8-12-21(15-19)35(31,32)27-22-13-6-4-10-20(22)17-28(2)25(29)24-16-18-9-5-7-14-23(18)34-24/h4-16,27H,3,17H2,1-2H3.
What are the key properties of ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate?
ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate has a molecular weight of 492.55 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 166324663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).