ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate

C22H23N3O7S — CID 20962018

IUPACethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc4c(cc3OC)n(C)c(=O)n4C)cc2c1C
InChIInChI=1S/C22H23N3O7S/c1-6-31-21(26)20-12(2)14-9-13(7-8-18(14)32-20)33(28,29)23-15-10-16-17(11-19(15)30-5)25(4)22(27)24(16)3/h7-11,23H,6H2,1-5H3
InChIKeyQRJZECQRTHSKLW-UHFFFAOYSA-N
MW473.51 g/mol
LogP2.92
Rot. Bonds6

About ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate

ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 20962018) has the molecular formula C22H23N3O7S and a molecular weight of 473.51 g/mol. Its IUPAC name is ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
PubChem CID20962018
Molecular FormulaC22H23N3O7S
Molecular Weight473.51 g/mol
Exact Mass473.13
IUPAC Nameethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc4c(cc3OC)n(C)c(=O)n4C)cc2c1C
InChIInChI=1S/C22H23N3O7S/c1-6-31-21(26)20-12(2)14-9-13(7-8-18(14)32-20)33(28,29)23-15-10-16-17(11-19(15)30-5)25(4)22(27)24(16)3/h7-11,23H,6H2,1-5H3
InChIKeyQRJZECQRTHSKLW-UHFFFAOYSA-N
XLogP2.92
TPSA121.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-methyl-5-(naphthalen-2-ylsulfamoyl)-1-benzofuran-2-carboxylate
CID 169244642
ethyl 3-methyl-5-[[(3R)-piperidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 120876450
ethyl 3-methyl-5-(pyrrolidin-3-ylsulfamoyl)-1-benzofuran-2-carboxylate
CID 120874645
ethyl 3-methyl-5-[[(3S)-pyrrolidin-3-yl]sulfamoyl]-1-benzofuran-2-carboxylate
CID 124725014
ethyl 3-methyl-5-(piperidin-3-ylsulfamoyl)-1-benzofuran-2-carboxylate;hydrochloride
CID 120874558
ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate
CID 127048856
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 3-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1-benzofuran-2-carboxylate
CID 120875011
ethyl 3-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-1-benzofuran-2-carboxylate
CID 120875485
ethyl 3-methyl-5-[(3-propan-2-ylphenyl)sulfonylamino]-1-benzofuran-2-carboxylate
CID 145274263
ethyl 5-(3-aminopyrrolidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylate
CID 120874822

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate (CID 20962018) is ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc4c(cc3OC)n(C)c(=O)n4C)cc2c1C.
What is the InChIKey of ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is QRJZECQRTHSKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O7S/c1-6-31-21(26)20-12(2)14-9-13(7-8-18(14)32-20)33(28,29)23-15-10-16-17(11-19(15)30-5)25(4)22(27)24(16)3/h7-11,23H,6H2,1-5H3.
What are the key properties of ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 473.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 20962018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).