N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C18H17F3N4O3S — CID 26196060

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C18H17F3N4O3S/c1-24(2)29(27,28)13-9-7-12(8-10-13)22-16(26)11-25-15-6-4-3-5-14(15)23-17(25)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyICBHMGNPNUPIGK-UHFFFAOYSA-N
MW426.42 g/mol
LogP2.94
Rot. Bonds5

About N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 26196060) has the molecular formula C18H17F3N4O3S and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID26196060
Molecular FormulaC18H17F3N4O3S
Molecular Weight426.42 g/mol
Exact Mass426.10
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C18H17F3N4O3S/c1-24(2)29(27,28)13-9-7-12(8-10-13)22-16(26)11-25-15-6-4-3-5-14(15)23-17(25)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyICBHMGNPNUPIGK-UHFFFAOYSA-N
XLogP2.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 16543456
N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24555151
N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37122278
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37003501
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 43040516
N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26517476
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26688623
N-[4-(diethylsulfamoyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4843555
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide
CID 4883075
N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 51122950
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39045058

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 26196060) is N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is ICBHMGNPNUPIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3S/c1-24(2)29(27,28)13-9-7-12(8-10-13)22-16(26)11-25-15-6-4-3-5-14(15)23-17(25)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 426.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 26196060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).