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

C19H22N4O3S2 — CID 7374613

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H22N4O3S2/c1-3-23(4-2)28(25,26)15-9-7-8-14(12-15)20-18(24)13-27-19-21-16-10-5-6-11-17(16)22-19/h5-12H,3-4,13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyHJSXQZYEAVOHFF-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.32
Rot. Bonds8

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

2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 7374613) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID7374613
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H22N4O3S2/c1-3-23(4-2)28(25,26)15-9-7-8-14(12-15)20-18(24)13-27-19-21-16-10-5-6-11-17(16)22-19/h5-12H,3-4,13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyHJSXQZYEAVOHFF-UHFFFAOYSA-N
XLogP3.32
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide (CID 7374613) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is HJSXQZYEAVOHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-3-23(4-2)28(25,26)15-9-7-8-14(12-15)20-18(24)13-27-19-21-16-10-5-6-11-17(16)22-19/h5-12H,3-4,13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 3.32, 8 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-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 7374613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).