2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C17H18N4O3S2 — CID 4141294

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H18N4O3S2/c1-21(2)26(23,24)13-7-5-6-12(10-13)18-16(22)11-25-17-19-14-8-3-4-9-15(14)20-17/h3-10H,11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyRDJUUCUPIIULSI-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.54
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4141294) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4141294
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H18N4O3S2/c1-21(2)26(23,24)13-7-5-6-12(10-13)18-16(22)11-25-17-19-14-8-3-4-9-15(14)20-17/h3-10H,11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyRDJUUCUPIIULSI-UHFFFAOYSA-N
XLogP2.54
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 4141294) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is RDJUUCUPIIULSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-21(2)26(23,24)13-7-5-6-12(10-13)18-16(22)11-25-17-19-14-8-3-4-9-15(14)20-17/h3-10H,11H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4141294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).