1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide

C15H17N3O3S2 — CID 49454127

IUPAC1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NCCc3cccs3)ccc21
InChIInChI=1S/C15H17N3O3S2/c1-17-13-6-5-12(10-14(13)18(2)15(17)19)23(20,21)16-8-7-11-4-3-9-22-11/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyQNDPDKAGWJZYTN-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.46
Rot. Bonds5

About 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide

1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide (PubChem CID 49454127) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
PubChem CID49454127
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NCCc3cccs3)ccc21
InChIInChI=1S/C15H17N3O3S2/c1-17-13-6-5-12(10-14(13)18(2)15(17)19)23(20,21)16-8-7-11-4-3-9-22-11/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyQNDPDKAGWJZYTN-UHFFFAOYSA-N
XLogP1.46
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
N-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43853598
N-[2-[4-(dimethylamino)phenyl]ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 52858164
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 110760667
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
N-[2-methyl-4-(2-thiophen-2-ylethylsulfamoyl)phenyl]acetamide
CID 58962527
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55835655
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145049

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide (CID 49454127) is 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCc3cccs3)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide?
The InChIKey is QNDPDKAGWJZYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-17-13-6-5-12(10-14(13)18(2)15(17)19)23(20,21)16-8-7-11-4-3-9-22-11/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide?
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide has a molecular weight of 351.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 49454127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).