2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide

C20H24N4O3S2 — CID 4796833

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H24N4O3S2/c1-4-24(5-2)29(26,27)15-11-10-14(3)18(12-15)21-19(25)13-28-20-22-16-8-6-7-9-17(16)23-20/h6-12H,4-5,13H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyWDHXEJIEYCEJBR-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.63
Rot. Bonds8

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 4796833) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID4796833
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H24N4O3S2/c1-4-24(5-2)29(26,27)15-11-10-14(3)18(12-15)21-19(25)13-28-20-22-16-8-6-7-9-17(16)23-20/h6-12H,4-5,13H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyWDHXEJIEYCEJBR-UHFFFAOYSA-N
XLogP3.63
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.63
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-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide (CID 4796833) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is WDHXEJIEYCEJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-4-24(5-2)29(26,27)15-11-10-14(3)18(12-15)21-19(25)13-28-20-22-16-8-6-7-9-17(16)23-20/h6-12H,4-5,13H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 3.63, 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-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 4796833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).