[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate

C23H27N3O5S — CID 42894476

IUPAC[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
SMILESCCn1c(COC(=O)c2cccc3c2OC(C)C3C)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H27N3O5S/c1-6-26-20-11-10-16(32(28,29)25(4)5)12-19(20)24-21(26)13-30-23(27)18-9-7-8-17-14(2)15(3)31-22(17)18/h7-12,14-15H,6,13H2,1-5H3
InChIKeyDZHRVJHDKVJQRL-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.55
Rot. Bonds6

About [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate

[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate (PubChem CID 42894476) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
PubChem CID42894476
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
SMILESCCn1c(COC(=O)c2cccc3c2OC(C)C3C)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H27N3O5S/c1-6-26-20-11-10-16(32(28,29)25(4)5)12-19(20)24-21(26)13-30-23(27)18-9-7-8-17-14(2)15(3)31-22(17)18/h7-12,14-15H,6,13H2,1-5H3
InChIKeyDZHRVJHDKVJQRL-UHFFFAOYSA-N
XLogP3.55
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate with MolForge

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Related Compounds

[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate
CID 16560205
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 4-methylsulfonylbenzoate
CID 30000662
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-amino-4-chlorobenzoate
CID 30018010
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl naphthalene-1-carboxylate
CID 46814027
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl pyridine-2-carboxylate
CID 18193380
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-(methanesulfonamido)benzoate
CID 16560292
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 24680106
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl cyclopentanecarboxylate
CID 8011839
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 55536998
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-chloro-1-benzothiophene-2-carboxylate
CID 55356874
[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2,5-dichlorobenzoate
CID 46814003
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 4-(furan-2-carbonylamino)benzoate
CID 27764250

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate?
The IUPAC name of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate (CID 42894476) is [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate.
What is the SMILES notation for [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate?
The canonical SMILES for [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate is CCn1c(COC(=O)c2cccc3c2OC(C)C3C)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate?
The InChIKey is DZHRVJHDKVJQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-6-26-20-11-10-16(32(28,29)25(4)5)12-19(20)24-21(26)13-30-23(27)18-9-7-8-17-14(2)15(3)31-22(17)18/h7-12,14-15H,6,13H2,1-5H3.
What are the key properties of [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate?
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate has a molecular weight of 457.55 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate is sourced from PubChem (CID 42894476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).