ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate

C18H19N3O5S — CID 7454642

IUPACethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O5S/c1-4-26-17(22)12-5-7-13(8-6-12)19-27(24,25)14-9-10-15-16(11-14)21(3)18(23)20(15)2/h5-11,19H,4H2,1-3H3
InChIKeyBZASCYPUJFQZNP-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.85
Rot. Bonds5

About ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate

ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate (PubChem CID 7454642) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate
PubChem CID7454642
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Nameethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O5S/c1-4-26-17(22)12-5-7-13(8-6-12)19-27(24,25)14-9-10-15-16(11-14)21(3)18(23)20(15)2/h5-11,19H,4H2,1-3H3
InChIKeyBZASCYPUJFQZNP-UHFFFAOYSA-N
XLogP1.85
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate (CID 7454642) is ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate?
The InChIKey is BZASCYPUJFQZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-4-26-17(22)12-5-7-13(8-6-12)19-27(24,25)14-9-10-15-16(11-14)21(3)18(23)20(15)2/h5-11,19H,4H2,1-3H3.
What are the key properties of ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate?
ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate has a molecular weight of 389.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]benzoate is sourced from PubChem (CID 7454642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).