4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide

C18H20N4O4S — CID 110400751

IUPAC4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C18H20N4O4S/c1-21(2)27(25,26)14-9-7-13(8-10-14)17(23)19-11-12-22-16-6-4-3-5-15(16)20-18(22)24/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyUVZQBSPQSURNNH-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.01
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide (PubChem CID 110400751) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
PubChem CID110400751
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C18H20N4O4S/c1-21(2)27(25,26)14-9-7-13(8-10-14)17(23)19-11-12-22-16-6-4-3-5-15(16)20-18(22)24/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyUVZQBSPQSURNNH-UHFFFAOYSA-N
XLogP1.01
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide (CID 110400751) is 4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2c(=O)[nH]c3ccccc32)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The InChIKey is UVZQBSPQSURNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-21(2)27(25,26)14-9-7-13(8-10-14)17(23)19-11-12-22-16-6-4-3-5-15(16)20-18(22)24/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide has a molecular weight of 388.45 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110400751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).